1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one

C12H11FN2O — CID 134608302

IUPAC1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C12H11FN2O/c1-2-12(16)9-7-14-15(8-9)11-6-4-3-5-10(11)13/h3-8H,2H2,1H3
InChIKeyGZEIAYHLNLKNPB-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one

1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one (PubChem CID 134608302) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
PubChem CID134608302
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C12H11FN2O/c1-2-12(16)9-7-14-15(8-9)11-6-4-3-5-10(11)13/h3-8H,2H2,1H3
InChIKeyGZEIAYHLNLKNPB-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828484
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
2-cyano-N,N-diethyl-3-[1-(2-fluorophenyl)pyrazol-4-yl]-3-oxopropanamide
CID 48906977
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
(2S)-2-[[1-(2-fluorophenyl)pyrazole-4-carbonyl]amino]heptanoic acid
CID 99781228
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
ethyl 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrazole-4-carboxylate
CID 81497688
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
CID 109400380
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462
N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide
CID 86946422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one (CID 134608302) is 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one is CCC(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one?
The InChIKey is GZEIAYHLNLKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-12(16)9-7-14-15(8-9)11-6-4-3-5-10(11)13/h3-8H,2H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one?
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one has a molecular weight of 218.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 134608302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).