[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol

C11H11ClF2N4O — CID 79822146

IUPAC[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol
SMILESCc1cc(-n2nc(C(F)F)c(CO)c2Cl)nc(C)n1
InChIInChI=1S/C11H11ClF2N4O/c1-5-3-8(16-6(2)15-5)18-10(12)7(4-19)9(17-18)11(13)14/h3,11,19H,4H2,1-2H3
InChIKeyKWIMWZUQVLKTKI-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.36
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol

[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol (PubChem CID 79822146) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol
PubChem CID79822146
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC Name[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol
SMILESCc1cc(-n2nc(C(F)F)c(CO)c2Cl)nc(C)n1
InChIInChI=1S/C11H11ClF2N4O/c1-5-3-8(16-6(2)15-5)18-10(12)7(4-19)9(17-18)11(13)14/h3,11,19H,4H2,1-2H3
InChIKeyKWIMWZUQVLKTKI-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol (CID 79822146) is [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol is Cc1cc(-n2nc(C(F)F)c(CO)c2Cl)nc(C)n1.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol?
The InChIKey is KWIMWZUQVLKTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c1-5-3-8(16-6(2)15-5)18-10(12)7(4-19)9(17-18)11(13)14/h3,11,19H,4H2,1-2H3.
What are the key properties of [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol?
[5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol has a molecular weight of 288.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 79822146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).