(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

C12H15F3N2O — CID 103133856

IUPAC(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCn1ccc(C(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N2O/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFWXJENKWXVTBLZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.97
Rot. Bonds2

About (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 103133856) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID103133856
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCn1ccc(C(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N2O/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFWXJENKWXVTBLZ-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(1-methylpyrazol-3-yl)methanone
CID 171937559
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105098763
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
(1,1-dioxothiolan-3-yl)-(1-methylpyrazol-3-yl)methanone
CID 103130501
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100843589
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105128124
2-cyclopentyl-1-(1-methylpyrazol-3-yl)ethanone
CID 65195587
2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
benzyl 3-(1-methylpyrazole-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937565
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 103133856) is (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is Cn1ccc(C(=O)C2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is FWXJENKWXVTBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 260.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 103133856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).