Basic information
- CAS
80030-79-1- Standard SMILES
Cc1[nH]nc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]- InChIKey
HPYOXONPVXSOEL-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- Pyrazole-5-carboxamide, N-benzyl-3-methyl-4-nitro-
- IUPAC
- N-benzyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
- English name
- 1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-(phenylmethyl)-
- Molecular formula
- C12H12N4O3
- Molecular weight
- 260.25
Names & synonyms
80030-79-1Pyrazole-5-carboxamide, N-benzyl-3-methyl-4-nitro-RefChem:1097243BRN 4517215N-benzyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-(phenylmethyl)-N-Benzyl-3-methyl-4-nitropyrazole-5-carboxamideDTXSID40876766PYRAZOLE3METHYL4NITRO5NBENZYLCARBOXAMIDO5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid benzylamide
Database identifiers
- CAS
80030-79-1- PubChem CID
- 149797
- DTXSID
DTXSID40876766- Nikkaji
- J934.115C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.49
Physicochemical properties
- Boiling point
- 508 · 508.0±50.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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