[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol

C11H15F3N2O — CID 66437907

IUPAC[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h6,9,17H,1-5,7H2
InChIKeyJZTKKNHIKCJHCN-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.90
Rot. Bonds2

About [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66437907) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID66437907
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h6,9,17H,1-5,7H2
InChIKeyJZTKKNHIKCJHCN-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
CID 66439251
4-(chloromethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438386
4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438820
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
CID 66438121
4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole
CID 58504365
1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 176717597
1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-amine
CID 126971873
1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 146515724
N-[[1-(1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441292
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
CID 66439455

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 66437907) is [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(C2CCCCC2)c1C(F)(F)F.
What is the InChIKey of [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is JZTKKNHIKCJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h6,9,17H,1-5,7H2.
What are the key properties of [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 248.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66437907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).