methyl 3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]butanoate
Chemical Structure Depiction of
methyl 3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]butanoate
methyl 3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]butanoate
Compound characteristics
| Compound ID: | Y507-4059 |
| Compound Name: | methyl 3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]butanoate |
| Molecular Weight: | 255.27 |
| Molecular Formula: | C11 H17 N3 O4 |
| Smiles: | CC(C)c1cc(nn1C(C)CC(=O)OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6995 |
| logD: | 1.6995 |
| logSw: | -1.8743 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.945 |
| InChI Key: | AHFTUBKJDLCJFW-QMMMGPOBSA-N |