1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone

C17H13FN2O — CID 54513158

IUPAC1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2cccc(F)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C17H13FN2O/c1-11(21)15-16(12-6-3-2-4-7-12)19-20-17(15)13-8-5-9-14(18)10-13/h2-10H,1H3,(H,19,20)
InChIKeyYKOGVTLUMUSKJN-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.09
Rot. Bonds3

About 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone

1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone (PubChem CID 54513158) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
PubChem CID54513158
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2cccc(F)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C17H13FN2O/c1-11(21)15-16(12-6-3-2-4-7-12)19-20-17(15)13-8-5-9-14(18)10-13/h2-10H,1H3,(H,19,20)
InChIKeyYKOGVTLUMUSKJN-UHFFFAOYSA-N
XLogP4.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone (CID 54513158) is 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone is CC(=O)c1c(-c2cccc(F)c2)n[nH]c1-c1ccccc1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone?
The InChIKey is YKOGVTLUMUSKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11(21)15-16(12-6-3-2-4-7-12)19-20-17(15)13-8-5-9-14(18)10-13/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone?
1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone has a molecular weight of 280.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 54513158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).