1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone

C17H13FN2O — CID 62771681

IUPAC1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H13FN2O/c1-12(21)17-15(18)8-5-9-16(17)20-11-14(10-19-20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyMSMCSIZBWMCUBF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone

1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone (PubChem CID 62771681) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone
PubChem CID62771681
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H13FN2O/c1-12(21)17-15(18)8-5-9-16(17)20-11-14(10-19-20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyMSMCSIZBWMCUBF-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluxapyroxad
CID 16095400
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251554
(5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(phenyl)methanone
CID 11565393
4-benzoyl-1-(2-fluorophenyl)-1H-pyrazol-5-amine
CID 11673569
4-benzoyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 11716060
(5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 15311937
1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251556
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone (CID 62771681) is 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone is CC(=O)c1c(F)cccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is MSMCSIZBWMCUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12(21)17-15(18)8-5-9-16(17)20-11-14(10-19-20)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone?
1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone has a molecular weight of 280.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 62771681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).