2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(3-methylphenyl)hydrazinecarbothioamide
Basic information
- CAS
512813-93-3- Standard SMILES
Cc1cccc(NC(=S)NNC(=O)Cn2nc(C)cc2C)c1- InChIKey
ASWOVGLBLVRCIF-UHFFFAOYSA-N- Molecular formula
- C15H19N5OS
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(3-methylphenyl)hydrazinecarbothioamide
- IUPAC
- 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
- English name
- 2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(3-methylphenyl)hydrazinecarbothioamide
- Molecular formula
- C15H19N5OS
- Molecular weight
- 317.40926
Names & synonyms
2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-(3-methylphenyl)hydrazinecarbothioamideCHEMBL2261866STL4032651-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(3-methylphenyl)thioureaAKOS003752264AK-968/41171684
Database identifiers
- CAS
512813-93-3- ChEMBL
CHEMBL2261866
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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