2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone

C12H9F3N2O — CID 122223794

IUPAC2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
SMILESO=C(Cc1ccccc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)11-7-9(16-17-11)10(18)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyFRQCFLSERNIAMQ-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.85
Rot. Bonds3

About 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone

2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone (PubChem CID 122223794) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
PubChem CID122223794
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
SMILESO=C(Cc1ccccc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)11-7-9(16-17-11)10(18)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)
InChIKeyFRQCFLSERNIAMQ-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 727014
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2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
CID 155424830
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 5343037
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90354733
3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 701924
5-Phenyl-2H-pyrazole-3-carboxylic acid cyclohexylidene-hydrazide
CID 820056
N'-cyclopentylidene-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 820058

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone (CID 122223794) is 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone is O=C(Cc1ccccc1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The InChIKey is FRQCFLSERNIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)11-7-9(16-17-11)10(18)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17).
What are the key properties of 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone has a molecular weight of 254.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 122223794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).