Basic information
- Standard SMILES
CC(C)n1nc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1N- InChIKey
NNSVLMACKZGASK-UHFFFAOYSA-N- Molecular formula
- C13H13N5O2
- Average molar mass
- 271.27 g/mol
Names & identifiers
- Preferred name
- 5-amino-1-isopropyl-3-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-3-(3-nitrophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
Names & synonyms
SCHEMBL14974336NNSVLMACKZGASK-UHFFFAOYSA-N5-amino-1-isopropyl-3-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
Database identifiers
- PubChem CID
- 89586589
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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