(1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone
Basic information
- CAS
151599-41-6- Standard SMILES
Cn1cc([N+](=O)[O-])c(C(=O)c2ccccc2)n1- InChIKey
HIUCABRWQSMNDO-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.06439116
Names & identifiers
- Preferred name
- (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone
- IUPAC
- (1-methyl-4-nitropyrazol-3-yl)-phenylmethanone
Names & synonyms
(1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone151599-41-6RefChem:204631Oprea1_602988SCHEMBL17369145DTXSID801231224AKOS0251509503-benzoyl-1-methyl-4-nitro-1H-pyrazole(1-methyl-4-nitro-1H-pyrazol-3-yl)(phenyl)methanone
Database identifiers
- CAS
151599-41-6- PubChem CID
- 768274
- DTXSID
DTXSID801231224
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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