Basic information
- Standard SMILES
Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(N)c2C(N)=O)cc1- InChIKey
IXJQQUZIZXODOE-UHFFFAOYSA-N- Molecular formula
- C17H15N5O3
- Average molar mass
- 337.33 g/mol
- Monoisotopic mass
- 337.11748936
Names & identifiers
- Preferred name
- 5-Amino-1-(4-nitrophenyl)-3-(4-tolyl)pyrazole-4-carboxamide
- IUPAC
- 5-amino-3-(4-methylphenyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
Names & synonyms
SCHEMBL8307048IXJQQUZIZXODOE-UHFFFAOYSA-N5-Amino-1-(4-nitrophenyl)-3-(4-tolyl)pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 53940397
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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