N-(2-ethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Basic information
- CAS
1002651-91-3- Standard SMILES
CCc1ccccc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1- InChIKey
VDEBFMJVPQMSRN-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15354051
Names & identifiers
- Preferred name
- N-(2-ethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
- IUPAC
- N-(2-ethylphenyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
Names & synonyms
N-(2-ethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide1002651-91-3N-(2-ethylphenyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamideOprea1_090071DTXSID801151422STK315462AKOS003760961ST004135N-(2-ethylphenyl){4-[(5-methyl-3-nitropyrazolyl)methyl]phenyl}carboxamide
Database identifiers
- CAS
1002651-91-3- PubChem CID
- 4541129
- DTXSID
DTXSID801151422
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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