Mol Weight - 182.222
Smiles - CCCc1cc(C(OCC)=O)n[nH]1
| Property Name | Property Value |
| Mol Name | Ethyl5-propyl-1h-pyrazole-3-carboxylate |
| Molweight | 182.222 |
| Monoisotopic Mass | 182.105528 |
| Clogp | 1.1944 |
| Clogs | -1.451 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 155.14 |
| Relative Psa | 0.3094 |
| Polar Surface Area | 54.98 |
| Druglikeness | -3.186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.76923 |
| Molecular Flexibility | 0.47057 |
| Molecular Complexity | 0.67089 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 6 |
| Aromatic Nitrogens | 2 |
| Smiles | CCCc1cc(C(OCC)=O)n[nH]1 |
| InChIKey | InChI=1S/C9H14N2O2/c1-3-5-7-6-8(11-10-7)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11) |
| InChI | SUALHSUMUQQLJP-UHFFFAOYSA-N |
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1 — Ethyl5-propyl-1h-pyrazole-3-carboxylate | 2 — Ethyl5-propyl-1h-pyrazole-3-carboxylate