Basic information
- Standard SMILES
Cc1cc(NC(=O)c2cc(C)nn2C)cc(Oc2ccc([N+](=O)[O-])nc2)c1- InChIKey
LZOWUSNHMCDKEA-UHFFFAOYSA-N- Molecular formula
- C18H17N5O4
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- 1,3-dimethyl-N-{3-methyl-5-[(6-nitropyridin-3-yl)oxy]phenyl}-1H-pyrazole-5-carboxamide
- IUPAC
- 2,5-dimethyl-N-[3-methyl-5-[(6-nitro-3-pyridinyl)oxy]phenyl]pyrazole-3-carboxamide
Names & synonyms
SCHEMBL3676031LZOWUSNHMCDKEA-UHFFFAOYSA-N1,3-dimethyl-N-{3-methyl-5-[(6-nitropyridin-3-yl)oxy]phenyl}-1H-pyrazole-5-carboxamide
Database identifiers
- PubChem CID
- 57749175
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
4 records
Compound notes
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