[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

C12H17F3N2O — CID 58020861

IUPAC[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(CC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-10(8-18)7-17(16-11)6-9-4-2-1-3-5-9/h7,9,18H,1-6,8H2
InChIKeyGIVJLUDDMZOWCN-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.97
Rot. Bonds3

About [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 58020861) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID58020861
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(CC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-10(8-18)7-17(16-11)6-9-4-2-1-3-5-9/h7,9,18H,1-6,8H2
InChIKeyGIVJLUDDMZOWCN-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 58020861) is [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cn(CC2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is GIVJLUDDMZOWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)11-10(8-18)7-17(16-11)6-9-4-2-1-3-5-9/h7,9,18H,1-6,8H2.
What are the key properties of [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 58020861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).