Basic information
- CAS
37027-11-5- Standard SMILES
Cc1cccc(NC(=O)c2cc(C)[nH]n2)c1- InChIKey
XRRBDBBNWWVVSL-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586205
Names & identifiers
- Preferred name
- 1H-Pyrazolecarboxamide, 5-methyl-N-(3-methylphenyl)-
- IUPAC
- 5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
Names & synonyms
1H-Pyrazolecarboxamide, 5-methyl-N-(3-methylphenyl)-5-Methyl-N-(3-methylphenyl)-1H-pyrazolecarboxamide37027-11-53-Methyl-N-(m-methyl)phenyl-1H-pyrazol-5-ylcarboxamideDTXSID50190526RefChem:240073DTXCID901130175-methyl-n-(3-methylphenyl)-1h-pyrazole-3-carboxamideSCHEMBL21348658AKOS027588877
Database identifiers
- CAS
37027-11-5- PubChem CID
- 216045
- DTXSID
DTXSID50190526
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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