2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol

C11H11F3N4O — CID 168867287

IUPAC2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H11F3N4O/c1-10(2,19)9-15-4-3-8(17-9)18-6-7(5-16-18)11(12,13)14/h3-6,19H,1-2H3
InChIKeyXOIAJVQXKVEGDE-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.91
Rot. Bonds2

About 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol

2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 168867287) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID168867287
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H11F3N4O/c1-10(2,19)9-15-4-3-8(17-9)18-6-7(5-16-18)11(12,13)14/h3-6,19H,1-2H3
InChIKeyXOIAJVQXKVEGDE-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 62343477
2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 90775494
2-chloro-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidine
CID 39869160
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 45790726
4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 69436881
2-(1H-Pyrazol-1-YL)-5-(trifluoromethyl)pyrimidine
CID 71744334
4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868731
1-[2-Pyrimidin-4-yl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethanol
CID 90157389
2-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 134397379
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 140298834
4-Pyrazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 141405862
N-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)prop-2-enyl]-N-methyl-4-pyrazol-1-ylpyrimidin-2-amine
CID 142164715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol (CID 168867287) is 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol is CC(C)(O)c1nccc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is XOIAJVQXKVEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-10(2,19)9-15-4-3-8(17-9)18-6-7(5-16-18)11(12,13)14/h3-6,19H,1-2H3.
What are the key properties of 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol?
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 272.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 168867287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).