5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
Basic information
- CAS
302939-41-9- Standard SMILES
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1- InChIKey
MPEZDYPJNPJYCX-UHFFFAOYSA-N- Molecular formula
- C17H14N4O3
- Average molar mass
- 322.32 g/mol
- Monoisotopic mass
- 322.10659032
Names & identifiers
- Preferred name
- 5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
- IUPAC
- 5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
Names & synonyms
5-methyl-N-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamideCambridge id 5677498MLS001163408CHEMBL1573588DTXSID701320026HMS2829A20AKOS000524012302939-41-9SMR000496693AB00093104-01AG-690/11629527
Show more names
Z56764422N-{3-nitrophenyl}-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
Database identifiers
- CAS
302939-41-9- PubChem CID
- 832949
- DTXSID
DTXSID701320026- ChEMBL
CHEMBL1573588
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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