(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone

C16H11FN2O — CID 118484775

IUPAC(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(F)c(-c2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C16H11FN2O/c17-14-7-6-12(16(20)15-8-9-18-19-15)10-13(14)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyAUNJIGMZLVDYJM-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.45
Rot. Bonds3

About (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone

(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone (PubChem CID 118484775) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone
PubChem CID118484775
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(F)c(-c2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C16H11FN2O/c17-14-7-6-12(16(20)15-8-9-18-19-15)10-13(14)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyAUNJIGMZLVDYJM-UHFFFAOYSA-N
XLogP3.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone (CID 118484775) is (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone is O=C(c1ccc(F)c(-c2ccccc2)c1)c1ccn[nH]1.
What is the InChIKey of (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is AUNJIGMZLVDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-14-7-6-12(16(20)15-8-9-18-19-15)10-13(14)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone?
(4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 266.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-phenylphenyl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 118484775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).