(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone

C16H10F2N2O — CID 107330104

IUPAC(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-6-7-19-20(15)14-4-2-1-3-5-14/h1-10H
InChIKeyBNAQUOQPPWXTCK-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.38
Rot. Bonds3

About (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone

(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330104) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330104
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-6-7-19-20(15)14-4-2-1-3-5-14/h1-10H
InChIKeyBNAQUOQPPWXTCK-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
2-phenylpyrazole-3-carbothioamide
CID 83387115
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107330104) is (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone is O=C(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is BNAQUOQPPWXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-12-8-11(9-13(18)10-12)16(21)15-6-7-19-20(15)14-4-2-1-3-5-14/h1-10H.
What are the key properties of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 284.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).