1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone

C13H13FN2O — CID 170757720

IUPAC1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2O/c1-9(11-3-5-13(14)6-4-11)16-8-12(7-15-16)10(2)17/h3-9H,1-2H3/t9-/m0/s1
InChIKeyBKWMADKOYDHFAW-VIFPVBQESA-N
MW232.26 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone

1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone (PubChem CID 170757720) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone
PubChem CID170757720
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2O/c1-9(11-3-5-13(14)6-4-11)16-8-12(7-15-16)10(2)17/h3-9H,1-2H3/t9-/m0/s1
InChIKeyBKWMADKOYDHFAW-VIFPVBQESA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone 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

2-(4-acetylpyrazol-1-yl)-1-(4-bromophenyl)propan-1-one
CID 114265866
1-[(1S)-1-phenylethyl]pyrazole-4-carbonyl chloride
CID 58117230
1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886856
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034160
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
1-[1-(3-aminophenyl)ethyl]pyrazole-4-carboxamide
CID 64781432
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
2-[[1-(1-phenylethyl)pyrazol-4-yl]methyl]propanedioic acid
CID 68505530

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone (CID 170757720) is 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn([C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone?
The InChIKey is BKWMADKOYDHFAW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9(11-3-5-13(14)6-4-11)16-8-12(7-15-16)10(2)17/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone?
1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone has a molecular weight of 232.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-1-(4-fluorophenyl)ethyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 170757720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).