2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid

C12H11F3N4O2 — CID 62085928

IUPAC2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(C(=O)O)n1
InChIInChI=1S/C12H11F3N4O2/c1-6(2)10-16-5-7(9(17-10)11(20)21)19-4-3-8(18-19)12(13,14)15/h3-6H,1-2H3,(H,20,21)
InChIKeyVSPASRVBBLXCFX-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.50
Rot. Bonds3

About 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid

2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 62085928) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid
PubChem CID62085928
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(C(=O)O)n1
InChIInChI=1S/C12H11F3N4O2/c1-6(2)10-16-5-7(9(17-10)11(20)21)19-4-3-8(18-19)12(13,14)15/h3-6H,1-2H3,(H,20,21)
InChIKeyVSPASRVBBLXCFX-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 62085597
5-(Difluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxylic acid
CID 119056307
5-methyl-2-(1-methyl-1H-pyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 139023953
5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 59250617
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324826
5-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324828
3-(Trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 83681572
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105490436
4-Pyrimidin-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 130298536
1-Methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 130298654
2-Pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 134397380

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid (CID 62085928) is 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid is CC(C)c1ncc(-n2ccc(C(F)(F)F)n2)c(C(=O)O)n1.
What is the InChIKey of 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is VSPASRVBBLXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6(2)10-16-5-7(9(17-10)11(20)21)19-4-3-8(18-19)12(13,14)15/h3-6H,1-2H3,(H,20,21).
What are the key properties of 2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 2.50, 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]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).