(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone

C17H11F3N2O — CID 10757758

IUPAC(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-6-4-5-12(9-14)16(23)13-10-21-22(11-13)15-7-2-1-3-8-15/h1-11H
InChIKeyOOSCNSSYDDOMMQ-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.12
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone

(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 10757758) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID10757758
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-6-4-5-12(9-14)16(23)13-10-21-22(11-13)15-7-2-1-3-8-15/h1-11H
InChIKeyOOSCNSSYDDOMMQ-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 114032783
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
1-phenylpyrazole-4-carbonyl iodide
CID 130257311

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 10757758) is (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OOSCNSSYDDOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-6-4-5-12(9-14)16(23)13-10-21-22(11-13)15-7-2-1-3-8-15/h1-11H.
What are the key properties of (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 316.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 10757758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).