3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H17F3N2O — CID 165496911

IUPAC3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1cc(C)n(C2CC(O)CCC2C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-7-5-8(2)17(16-7)11-6-9(18)3-4-10(11)12(13,14)15/h5,9-11,18H,3-4,6H2,1-2H3
InChIKeyOWEVGBJCJVNRPC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.76
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496911) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496911
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1cc(C)n(C2CC(O)CCC2C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-7-5-8(2)17(16-7)11-6-9(18)3-4-10(11)12(13,14)15/h5,9-11,18H,3-4,6H2,1-2H3
InChIKeyOWEVGBJCJVNRPC-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496911) is 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is Cc1cc(C)n(C2CC(O)CCC2C(F)(F)F)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OWEVGBJCJVNRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-7-5-8(2)17(16-7)11-6-9(18)3-4-10(11)12(13,14)15/h5,9-11,18H,3-4,6H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).