[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol

C12H13F3N4O — CID 62087428

IUPAC[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(CO)n1
InChIInChI=1S/C12H13F3N4O/c1-7(2)11-16-5-9(8(6-20)17-11)19-4-3-10(18-19)12(13,14)15/h3-5,7,20H,6H2,1-2H3
InChIKeyFXOULRYEIDRVHN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.30
Rot. Bonds3

About [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol

[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol (PubChem CID 62087428) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol
PubChem CID62087428
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(CO)n1
InChIInChI=1S/C12H13F3N4O/c1-7(2)11-16-5-9(8(6-20)17-11)19-4-3-10(18-19)12(13,14)15/h3-5,7,20H,6H2,1-2H3
InChIKeyFXOULRYEIDRVHN-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanol
CID 117670267
[3-(Trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
CID 138630782
[3-Methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]methanol
CID 157046446
2-Propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid
CID 62085928
[5-[Ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087608
[2-Propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol
CID 62087791
[2-Propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol
CID 62087962
[5-[Methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088137
[2-Propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol
CID 64177103
[5-[Methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 65539078
[6-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol
CID 66465935
[4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methanol
CID 83184382

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol (CID 62087428) is [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol is CC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol?
The InChIKey is FXOULRYEIDRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7(2)11-16-5-9(8(6-20)17-11)19-4-3-10(18-19)12(13,14)15/h3-5,7,20H,6H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 286.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 62087428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).