Methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
Structure Info
- Chemspace ID
- CSSB00015197754 (In-Stock Building Blocks)
- CAS
- 313062-84-9
- MFCD
- MFCD01858042
- IUPAC Name
- methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
- Mol formula
- C12H10N4O6
- Mol weight
- 306 Da
- Catalog Number(s)
- AA00JECH, AJ04957, AK-968/41170350, B016119, BB046117, BB05-1560, BBL037861, CS-0301901, CSC015197754, EN300-228987, HY-W239461, JH868572, NMA06284, OSSK_038299, PBMR179209, ST00JFW1, STK298475, STOCK1S-78540, TX00JFKX, UZI/1012011, ZXT056578
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.6
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 130
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate (C12H10N4O6) - 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 "C12H10N4O6")
- Zoom the structure
- CSSB00015197754
Items Overall 5 items from 2 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-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate; CAS: 313062-84-9 | ||||||
| 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-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate; CAS: 313062-84-9 | ||||||
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Substructure Analogs
![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-[(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 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 methyl 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoate - 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)
![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 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00015197131](/st/structure/200/00c32749359f5abc3a3a3c0a4faf76df/COC%2528%253DO%2529C1%253DCC%253DCC%2528CN2C%253DC%2528Cl%2529C%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%253DC1.png)
![Chemical structure of methyl 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylate - CSSB00104219877](/st/structure/200/6b0bb1e698306b56a861a472447158b8/COC%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528OC%2529C%253DC2%2529C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO.png)
