(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C11H15F3N2O — CID 176717201

IUPAC(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC1CC[C@@H](n2ccc(C(F)(F)F)n2)C(O)C1
InChIInChI=1S/C11H15F3N2O/c1-7-2-3-8(9(17)6-7)16-5-4-10(15-16)11(12,13)14/h4-5,7-9,17H,2-3,6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyKHBRJMUTOWNESK-QJAFJHJLSA-N
MW248.25 g/mol
LogP2.62
Rot. Bonds1

About (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 176717201) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID176717201
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC1CC[C@@H](n2ccc(C(F)(F)F)n2)C(O)C1
InChIInChI=1S/C11H15F3N2O/c1-7-2-3-8(9(17)6-7)16-5-4-10(15-16)11(12,13)14/h4-5,7-9,17H,2-3,6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyKHBRJMUTOWNESK-QJAFJHJLSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]cyclohexanol
CID 59556146
4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169120459
2-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169757329
[4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 175860279
2-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61631945
4-Ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770379
2-[3-(Trifluoromethyl)pyrazol-1-yl]pentan-3-ol
CID 61770569
4-Tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770570
4-(2-Methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61771346
4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61771543
2-[3-(Trifluoromethyl)pyrazol-1-yl]cycloheptan-1-ol
CID 61771544
2-[3-(Trifluoromethyl)pyrazol-1-yl]cyclooctan-1-ol
CID 61771932

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 176717201) is (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is CC1CC[C@@H](n2ccc(C(F)(F)F)n2)C(O)C1.
What is the InChIKey of (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is KHBRJMUTOWNESK-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7-2-3-8(9(17)6-7)16-5-4-10(15-16)11(12,13)14/h4-5,7-9,17H,2-3,6H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 248.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 176717201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).