Methyl 3-(1-methyl-1H-pyrazol-4-yl)benzoate
Structure Info
- Chemspace ID
- CSSB00122353384 (In-Stock Building Blocks)
- CAS
- 1393879-96-3
- MFCD
- MFCD35324788 , MFCD35324788
- IUPAC Name
- methyl 3-(1-methyl-1H-pyrazol-4-yl)benzoate
- Mol formula
- C12H12N2O2
- Mol weight
- 216 Da
- Catalog Number(s)
- A809024, AR032QF9, BBLS00122353384, BBV-47730876, CSC003507568, CSC122353384, CSCR00003507568, EC032RW1, EN300-28952159, ST032R71, Z1291186655, a6_1266_22142, bbls00122353384, s_1458_5731432_483916, s_1458____5731432____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.05
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00122353384
Items Overall 11 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 732.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 767.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 802.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 836.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 871.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,707.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,525.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,746.00 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 100 mg | 584.10 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 250 mg | 768.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 1 g | 1,505.90 | |
Description: methyl3-(1-methylpyrazol-4-yl)benzoate; CAS: 1393879-96-3 | ||||||
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Substructure Analogs
![Chemical structure of methyl 3-[1-(fluoromethyl)-1H-pyrazol-4-yl]benzoate - CSSB14929379660](/st/structure/200/b3f855664af3f5c538bd27d399538bf5/COC%2528%253DO%2529C%253D1C%253DCC%253DC%2528C1%2529C%253D2C%253DNN%2528CF%2529C2.png)
Similarity Analogs
![Chemical structure of methyl 3-[1-(trifluoromethyl)-1H-pyrazol-4-yl]benzoate - CSSB01411997457](/st/structure/200/373be049b10312c2fe6189b9a093e95e/COC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DCN%2528N%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-methyl-4-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole - CSSB01097647392](/st/structure/200/0e57b753c86582680a4f51e93f30266f/CN1C%253DC%2528C%253DN1%2529C1%253DCC%2528%253DCC%253DC1%2529C1%253DCN%2528C%2529N%253DC1.png)
