Basic information
- Standard SMILES
Cc1cc(-c2cn[nH]c2)cc([N+](=O)[O-])c1- InChIKey
IZKZZIPKJIUMPN-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 4-(3-methyl-5-nitrophenyl)-1H-pyrazole
- IUPAC
- 4-(3-methyl-5-nitrophenyl)-1H-pyrazole
Names & synonyms
SCHEMBL16876161IZKZZIPKJIUMPN-UHFFFAOYSA-N4-(3-methyl-5-nitrophenyl)-1H-pyrazole
Database identifiers
- PubChem CID
- 91619166
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
2 records
Compound notes
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