4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol

C15H23F3N2O — CID 157041996

IUPAC4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1
InChIInChI=1S/C15H23F3N2O/c1-14(2,3)12-8-13(15(16,17)18)20(19-12)9-10-4-6-11(21)7-5-10/h8,10-11,21H,4-7,9H2,1-3H3
InChIKeyIKBYLJHKZZCRKN-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.75
Rot. Bonds2

About 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol

4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 157041996) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID157041996
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1
InChIInChI=1S/C15H23F3N2O/c1-14(2,3)12-8-13(15(16,17)18)20(19-12)9-10-4-6-11(21)7-5-10/h8,10-11,21H,4-7,9H2,1-3H3
InChIKeyIKBYLJHKZZCRKN-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]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

trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
1-[2-(Oxan-4-yl)ethyl]-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331560
5-Ethyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 134331615
2-[4-[5-Tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 134331620
5-Tert-butyl-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 134331647
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
1-(Oxan-2-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 142624744
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 143533731
[4-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 154683121
[4-[5-(1,1-Difluoroethyl)-2-methylpyrazol-3-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 154683487
Ethane;4-[[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041997

Frequently Asked Questions

What is the IUPAC name of 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol (CID 157041996) is 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol is CC(C)(C)c1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IKBYLJHKZZCRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-14(2,3)12-8-13(15(16,17)18)20(19-12)9-10-4-6-11(21)7-5-10/h8,10-11,21H,4-7,9H2,1-3H3.
What are the key properties of 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 304.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 157041996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).