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

C13H22N2O — CID 15853904

IUPACtrans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccn([C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C13H22N2O/c1-13(2,3)12-8-9-15(14-12)10-6-4-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCCCNGAIBACNPTF-QWRGUYRKSA-N
MW222.33 g/mol
LogP2.66
Rot. Bonds1

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

trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 15853904) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID15853904
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nametrans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccn([C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C13H22N2O/c1-13(2,3)12-8-9-15(14-12)10-6-4-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCCCNGAIBACNPTF-QWRGUYRKSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[3-Methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 123893266
2-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169757329
trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 932118
2-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61631945
4-Ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770379
4-Tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770570
4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61771543
4-Propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61773296
4,4-Dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 64401946
2,2-Dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 79846933
2-[5-(2-Fluoropropan-2-yl)pyrazol-1-yl]ethanol
CID 84731981
trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 102732392

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol (CID 15853904) is trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol is CC(C)(C)c1ccn([C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is CCCNGAIBACNPTF-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)12-8-9-15(14-12)10-6-4-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.66, 1 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-tert-butylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15853904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).