| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 12 | Yes |
Popular Name: methyl 5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxylate methyl 5-chloro-1,3-dimethyl-1H-…
Find On: PubMed — Wikipedia — Google
CAS Number: 27006-89-9
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.17 | 3.94 | -7.29 | 0 | 4 | 0 | 44 | 188.614 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 36 - 38 | Enamine Building Blocks |
| MP | 36...38 | Enamine Building Blocks |
| melting_point | 38 - 41 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0220695A1; EP0754672A1; EP0754672B1; US4872901; US5948819 | IBM Patent Data |
