[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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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).