[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol

C11H8Cl2F2N2O — CID 62892945

IUPAC[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C11H8Cl2F2N2O/c12-7-3-1-2-4-8(7)17-10(13)6(5-18)9(16-17)11(14)15/h1-4,11,18H,5H2
InChIKeyZLHHNPMYSVUABX-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.61
Rot. Bonds3

About [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol

[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol (PubChem CID 62892945) has the molecular formula C11H8Cl2F2N2O and a molecular weight of 293.10 g/mol. Its IUPAC name is [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
PubChem CID62892945
Molecular FormulaC11H8Cl2F2N2O
Molecular Weight293.10 g/mol
Exact Mass292.00
IUPAC Name[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C11H8Cl2F2N2O/c12-7-3-1-2-4-8(7)17-10(13)6(5-18)9(16-17)11(14)15/h1-4,11,18H,5H2
InChIKeyZLHHNPMYSVUABX-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol (CID 62892945) is [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol is OCc1c(C(F)F)nn(-c2ccccc2Cl)c1Cl.
What is the InChIKey of [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is ZLHHNPMYSVUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F2N2O/c12-7-3-1-2-4-8(7)17-10(13)6(5-18)9(16-17)11(14)15/h1-4,11,18H,5H2.
What are the key properties of [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol?
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 293.10 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 62892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).