1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone

C17H13FN2O — CID 9291952

IUPAC1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12(21)16-11-20(15-5-3-2-4-6-15)19-17(16)13-7-9-14(18)10-8-13/h2-11H,1H3
InChIKeyUFDQYBBDDNTXCB-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.88
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone

1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone (PubChem CID 9291952) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone
PubChem CID9291952
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12(21)16-11-20(15-5-3-2-4-6-15)19-17(16)13-7-9-14(18)10-8-13/h2-11H,1H3
InChIKeyUFDQYBBDDNTXCB-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone (CID 9291952) is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone is CC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone?
The InChIKey is UFDQYBBDDNTXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12(21)16-11-20(15-5-3-2-4-6-15)19-17(16)13-7-9-14(18)10-8-13/h2-11H,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone?
1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]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-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]ethanone is sourced from PubChem (CID 9291952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).