N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Basic information
- CAS
303066-06-0- Standard SMILES
Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2)n1- InChIKey
PMZWPKTWPDQGSE-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
- IUPAC
- N-benzyl-1-methyl-4-nitropyrazole-3-carboxamide
Names & synonyms
N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamideN-benzyl-1-methyl-4-nitropyrazole-3-carboxamideOprea1_473474303066-06-0MLS000767343CHEMBL1892441DTXSID301330687HMS2788B24STK315513AKOS001740959SMR000429674ST4062457
Show more names
EU-0019258(1-methyl-4-nitropyrazol-3-yl)-N-benzylcarboxamide1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid benzylamide
Database identifiers
- CAS
303066-06-0- PubChem CID
- 677126
- DTXSID
DTXSID301330687- ChEMBL
CHEMBL1892441
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility35.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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