trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C10H13F3N2O — CID 102732392

IUPACtrans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-5-6-15(14-9)7-3-1-2-4-8(7)16/h5-8,16H,1-4H2/t7-,8-/m1/s1
InChIKeySQTRKIBGCCJYFE-HTQZYQBOSA-N
MW234.22 g/mol
LogP2.38
Rot. Bonds1

About trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 102732392) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID102732392
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Nametrans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-5-6-15(14-9)7-3-1-2-4-8(7)16/h5-8,16H,1-4H2/t7-,8-/m1/s1
InChIKeySQTRKIBGCCJYFE-HTQZYQBOSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
trans-N-(2-hydroxycyclohexyl)pyrazole
CID 101985816
2-(1H-pyrazol-1-yl)cyclohexan-1-ol
CID 15889072
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
1-[Di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 22958930
4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]cyclohexanol
CID 59556146
1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631899
3,3-Dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
CID 61771736
(2S)-3,3-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-butanol
CID 69513260
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 102732392) is trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1n1ccc(C(F)(F)F)n1.
What is the InChIKey of trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is SQTRKIBGCCJYFE-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9-5-6-15(14-9)7-3-1-2-4-8(7)16/h5-8,16H,1-4H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.38, 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-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102732392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).