[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol

C11H8ClF3N2O — CID 62891214

IUPAC[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-10-8(5-18)9(11(14)15)16-17(10)7-3-1-2-6(13)4-7/h1-4,11,18H,5H2
InChIKeyUUMPARNXTKJRIZ-UHFFFAOYSA-N
MW276.64 g/mol
LogP3.09
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol

[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol (PubChem CID 62891214) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.64 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol
PubChem CID62891214
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.64 g/mol
Exact Mass276.03
IUPAC Name[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C11H8ClF3N2O/c12-10-8(5-18)9(11(14)15)16-17(10)7-3-1-2-6(13)4-7/h1-4,11,18H,5H2
InChIKeyUUMPARNXTKJRIZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol (CID 62891214) is [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol is OCc1c(C(F)F)nn(-c2cccc(F)c2)c1Cl.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is UUMPARNXTKJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c12-10-8(5-18)9(11(14)15)16-17(10)7-3-1-2-6(13)4-7/h1-4,11,18H,5H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol?
[5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 276.64 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 62891214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).