2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H10F3N3O2 — CID 84713624

IUPAC2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1cc2ncc(C(=O)O)c(C(F)(F)F)n2n1
InChIInChI=1S/C11H10F3N3O2/c1-5(2)7-3-8-15-4-6(10(18)19)9(11(12,13)14)17(8)16-7/h3-5H,1-2H3,(H,18,19)
InChIKeyJYKMECSZVULACE-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.57
Rot. Bonds2

About 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84713624) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84713624
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1cc2ncc(C(=O)O)c(C(F)(F)F)n2n1
InChIInChI=1S/C11H10F3N3O2/c1-5(2)7-3-8-15-4-6(10(18)19)9(11(12,13)14)17(8)16-7/h3-5H,1-2H3,(H,18,19)
InChIKeyJYKMECSZVULACE-UHFFFAOYSA-N
XLogP2.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1096391
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
Ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
6-Allyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3235916
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
5-(propan-2-yl)-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 25312759

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84713624) is 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CC(C)c1cc2ncc(C(=O)O)c(C(F)(F)F)n2n1.
What is the InChIKey of 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is JYKMECSZVULACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-5(2)7-3-8-15-4-6(10(18)19)9(11(12,13)14)17(8)16-7/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84713624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).