Methyl 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Structure Info
- Chemspace ID
- CSSB00000407111 (In-Stock Building Blocks)
- CAS
- 957513-33-6
- MFCD
- MFCD01858640
- IUPAC Name
- methyl 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoate
- Mol formula
- C12H11N3O4
- Mol weight
- 261 Da
- Catalog Number(s)
- AA00JK76, AG249633, AJ12542, AK-968/14002463, B001211, BB05-0417, BB4LS-EN300-227856, BBLS00000407111, BBV-32472645, BD514394, CD11003147, CS-0301904, CSC000407111, CSC132342894, EN300-227856, HNB51333, HY-W239464, OSSK_067234, PBMR179035, ST00JLQQ, STK298444, TX00JLFM, UZI/9035399, Y3602919, bbls00000407111
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.66
- Heavy atoms count
- 19
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoate (C12H11N3O4) - CSSB00000407111](/st/structure/200/d8d868f5c7a60545c8565682b29eafcb/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DCC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png "C12H11N3O4")
- Zoom the structure
- CSSB00000407111
Items Overall 13 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 10 mg | 336.60 | |
| AA Blocks CN | 12 days | China To: | 90 | 20 mg | 350.90 | |
| AA Blocks CN | 12 days | China To: | 90 | 50 mg | 388.30 | |
Description: Methyl 4-((3-nitro-1H-pyrazol-1-yl)methyl)benzoate; CAS: 957513-33-6 | ||||||
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
Description: Methyl 4-((3-nitro-1H-pyrazol-1-yl)methyl)benzoate; CAS: 957513-33-6 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 88.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 132.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 188.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 353.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 470.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 923.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,364.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,024.00 | |
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Substructure Analogs
![Chemical structure of methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00015197181](/st/structure/200/d259919ddc7f51856c0f1554967c2b79/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2N%253DC%2528C%253DC2C%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00015197754](/st/structure/200/1f1918c757ac30313c82235fa5d75d50/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DC%2528C%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00102528216](/st/structure/200/f86154dce39ce6631a50fb5ec7d4483d/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2N%253DC%2528C%2528%253DC2C%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate - CSSB00000389514](/st/structure/200/5ad6b1deccca05c54e110a5fe3d3e1ea/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid - CSSB00000489564](/st/structure/200/d1290d6dec99183e331db279a21a5f8c/OC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DCC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00000637344](/st/structure/200/b4eb38bf0095d03e46af09aeabb2631e/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DC%2528C%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide - CSSB00102528193](/st/structure/200/38221282f0edddd58165156c9422adc2/NNC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DCC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole - CSSB00010003340](/st/structure/200/3a15f3272e74fe9d4b1090161218c7f4/CC1%253DCC%253DC%2528CN2C%253DCC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
