5-{[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8503 |
| Compound Name: | 5-{[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 299.25 |
| Molecular Formula: | C12 H9 N7 O3 |
| Smiles: | Cn1c(C(Nc2c(C#N)c(CC#N)n[nH]2)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7577 |
| logD: | -4.9465 |
| logSw: | -1.5843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.468 |
| InChI Key: | UDCCHAXIGQRSEW-UHFFFAOYSA-N |