trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol

C11H18N2O — CID 932117

IUPACtrans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1cc(C)n([C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C11H18N2O/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14/h7,10-11,14H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyOWAYVRYGLBZVMI-GHMZBOCLSA-N
MW194.28 g/mol
LogP1.98
Rot. Bonds1

About trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 932117) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID932117
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nametrans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1cc(C)n([C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C11H18N2O/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14/h7,10-11,14H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyOWAYVRYGLBZVMI-GHMZBOCLSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
(1S*,2R*)-2-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexanol
CID 86286438
2-[4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 118149713
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 122633452
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-fluoropropan-2-ol
CID 131071192
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
4-[[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 166833817
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 176218179
3-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 176218441
1-Fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 178165944

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol (CID 932117) is trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol is Cc1cc(C)n([C@@H]2CCCC[C@H]2O)n1.
What is the InChIKey of trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is OWAYVRYGLBZVMI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14/h7,10-11,14H,3-6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).