(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C14H12F4N2O — CID 107291305

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccc(C(F)(F)F)c(F)c2)n(C)n1
InChIInChI=1S/C14H12F4N2O/c1-3-9-7-12(20(2)19-9)13(21)8-4-5-10(11(15)6-8)14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyBRFUCXUYTCLPFX-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.37
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107291305) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107291305
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccc(C(F)(F)F)c(F)c2)n(C)n1
InChIInChI=1S/C14H12F4N2O/c1-3-9-7-12(20(2)19-9)13(21)8-4-5-10(11(15)6-8)14(16,17)18/h4-7H,3H2,1-2H3
InChIKeyBRFUCXUYTCLPFX-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085414
(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105134334
2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107288150
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
3-amino-4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121495

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107291305) is (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is CCc1cc(C(=O)c2ccc(C(F)(F)F)c(F)c2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BRFUCXUYTCLPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-3-9-7-12(20(2)19-9)13(21)8-4-5-10(11(15)6-8)14(16,17)18/h4-7H,3H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107291305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).