trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol

C15H24N2O — CID 15853905

IUPACtrans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1ccc(C2CCCCC2)n1
InChIInChI=1S/C15H24N2O/c18-15-9-5-4-8-14(15)17-11-10-13(16-17)12-6-2-1-3-7-12/h10-12,14-15,18H,1-9H2/t14-,15-/m0/s1
InChIKeyUFYIOMUOPXRNEN-GJZGRUSLSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds2

About trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 15853905) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID15853905
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nametrans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1ccc(C2CCCCC2)n1
InChIInChI=1S/C15H24N2O/c18-15-9-5-4-8-14(15)17-11-10-13(16-17)12-6-2-1-3-7-12/h10-12,14-15,18H,1-9H2/t14-,15-/m0/s1
InChIKeyUFYIOMUOPXRNEN-GJZGRUSLSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
2-[5-[1-[2-(2-Methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 71891318
(1S,2R)-5,5-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89962726
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963010
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963011
5,5-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963152
3,3-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963530
(1S*,2R*)-3,3-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963531
(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657903
(2R)-3,3-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657948
(2R)-4,4-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657998
4-[5-[3-Methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 123893266

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol (CID 15853905) is trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1n1ccc(C2CCCCC2)n1.
What is the InChIKey of trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is UFYIOMUOPXRNEN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15-9-5-4-8-14(15)17-11-10-13(16-17)12-6-2-1-3-7-12/h10-12,14-15,18H,1-9H2/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15853905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).