| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 8 | No |
Popular Name: 3-Methyl-1H-pyrazole-4-carbaldehyde 3-Methyl-1H-pyrazole-4-carbaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112758-40-4 , 1257849-73-2 , 1395070-81-1 , [112758-40-4]
1H-Pyrazole-4-carboxaldehyde, 3-methyl- (9CI)
1H-pyrazole-4-carboxaldehyde, 5-methyl-
1H-Pyrazole-4-carboxaldehyde,3-methyl-
3-Methyl-1H-pyrazole-4-carbaldehyde hydrochloride
3-methyl-1h-pyrazole-4-carboxaldehyde
3-Methyl-1H-pyrazole-4-carboxaldehyde 95%
3-Methyl-1H-pyrazole-4-carboxaldehyde, 97%
| 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) | 0.26 | 1.25 | -10.13 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Ref Reference (pH 7) | 0.26 | 1.29 | -7.98 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 104 - 106 | Enamine Building Blocks |
| MP | 104...106 | Enamine Building Blocks |
| MP | 107-108.5° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0900197A1; WO1997030027A1; WO2000075139A2 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.