6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol

C13H17F3N2O — CID 168906812

IUPAC6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCC(C)n1nc(C(F)(F)F)cc1C1C2CC(O)CC21
InChIInChI=1S/C13H17F3N2O/c1-6(2)18-10(5-11(17-18)13(14,15)16)12-8-3-7(19)4-9(8)12/h5-9,12,19H,3-4H2,1-2H3
InChIKeyDMBMOAPLUNOCAE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.97
Rot. Bonds2

About 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol

6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol (PubChem CID 168906812) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
PubChem CID168906812
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCC(C)n1nc(C(F)(F)F)cc1C1C2CC(O)CC21
InChIInChI=1S/C13H17F3N2O/c1-6(2)18-10(5-11(17-18)13(14,15)16)12-8-3-7(19)4-9(8)12/h5-9,12,19H,3-4H2,1-2H3
InChIKeyDMBMOAPLUNOCAE-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
[(1R,5S)-3-fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 118161812
3-Ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
CID 123703137
[6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
CID 123815409
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
[3-Fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 140678130
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 143533731
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
Ethane;4-[[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041997
4-[[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 166833817
5-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
CID 166977497

Frequently Asked Questions

What is the IUPAC name of 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol (CID 168906812) is 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol is CC(C)n1nc(C(F)(F)F)cc1C1C2CC(O)CC21.
What is the InChIKey of 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The InChIKey is DMBMOAPLUNOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-6(2)18-10(5-11(17-18)13(14,15)16)12-8-3-7(19)4-9(8)12/h5-9,12,19H,3-4H2,1-2H3.
What are the key properties of 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol has a molecular weight of 274.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 168906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).