Basic information
- Standard SMILES
COc1ccc(-c2[nH]nc(C)c2NC(=O)c2ccccn2)cc1OC- InChIKey
CXBSAMKLBJAMFH-UHFFFAOYSA-N- Molecular formula
- C18H18N4O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13789045
Names & identifiers
- Preferred name
- N-[5-(3,4-Dimethoxyphenyl)-3-methyl-1H-pyrazol-4-yl]pyridine-2-carboxamide
- IUPAC
- N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL5740832CXBSAMKLBJAMFH-UHFFFAOYSA-NN-[5-(3,4-Dimethoxyphenyl)-3-methyl-1H-pyrazol-4-yl]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 21897979
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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