Basic information
- CAS
31272-21-6- Standard SMILES
Cc1nn(C)c(N)c1C(=O)c1ccccc1F- InChIKey
LMBRFPRUZRLJAW-UHFFFAOYSA-N- Molecular formula
- C12H12FN3O
- Average molar mass
- 233.24 g/mol
- Monoisotopic mass
- 233.09644018
Overview
structure given in first source
Names & identifiers
- Preferred name
- (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
- IUPAC
- (5-amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
- English name
- (5-amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
- Molecular formula
- C12H12FN3O
- Molecular weight
- 233.24
Names & synonyms
31272-21-6(5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanoneFP nucleus(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone7JV3564PNF5-Amino-1,3-dimethyl-4-pyrazolyl o-fluorophenyl ketoneMethanone, (5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)-DTXSID10185195KETONE, 5-AMINO-1,3-DIMETHYL-4-PYRAZOLYL o-FLUOROPHENYLPD-71627RefChem:69587DTXCID20107686
Show more names
PD 71627Fluorobenzoyl pyrazolyl nucleusCHEMBL284983(5-Amino-1,3-Dimethyl-1H-Pyrazol-4-yl(2-Fluorophenyl)MethanoneCCRIS 1811BRN 0662779Ketone, 5-amino-1,3-dimethylpyrazol-4-yl o-fluorophenylUNII-7JV3564PNF
Database identifiers
- CAS
31272-21-6- PubChem CID
- 35765
- DTXSID
DTXSID10185195- ChEMBL
CHEMBL284983
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 249 °C · 249°C (rough estimate)
- Density
- 1.2438 · 1.2438 (estimate)
- FDA UNII
- 7 JV3564PNF · 7JV3564PNF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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