[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

C11H8ClF3N2O — CID 59240012

IUPAC[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-8-3-1-2-4-9(8)17-7(6-18)5-10(16-17)11(13,14)15/h1-5,18H,6H2
InChIKeyLASBHUPJOFCEAD-UHFFFAOYSA-N
MW276.64 g/mol
LogP3.04
Rot. Bonds2

About [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 59240012) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.64 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID59240012
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.64 g/mol
Exact Mass276.03
IUPAC Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-8-3-1-2-4-9(8)17-7(6-18)5-10(16-17)11(13,14)15/h1-5,18H,6H2
InChIKeyLASBHUPJOFCEAD-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 59240012) is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is OCc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is LASBHUPJOFCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c12-8-3-1-2-4-9(8)17-7(6-18)5-10(16-17)11(13,14)15/h1-5,18H,6H2.
What are the key properties of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 276.64 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 59240012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).