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

C11H10ClF3N4O — CID 79823360

IUPAC[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cc(-n2nc(C(F)(F)F)c(CO)c2Cl)nc(C)n1
InChIInChI=1S/C11H10ClF3N4O/c1-5-3-8(17-6(2)16-5)19-10(12)7(4-20)9(18-19)11(13,14)15/h3,20H,4H2,1-2H3
InChIKeySTDSRJPUWMWKMC-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.44
Rot. Bonds2

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

[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 79823360) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID79823360
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cc(-n2nc(C(F)(F)F)c(CO)c2Cl)nc(C)n1
InChIInChI=1S/C11H10ClF3N4O/c1-5-3-8(17-6(2)16-5)19-10(12)7(4-20)9(18-19)11(13,14)15/h3,20H,4H2,1-2H3
InChIKeySTDSRJPUWMWKMC-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 79823360) is [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is Cc1cc(-n2nc(C(F)(F)F)c(CO)c2Cl)nc(C)n1.
What is the InChIKey of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is STDSRJPUWMWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-5-3-8(17-6(2)16-5)19-10(12)7(4-20)9(18-19)11(13,14)15/h3,20H,4H2,1-2H3.
What are the key properties of [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 306.68 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 79823360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).