7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H10F3N3O3 — CID 82271495

IUPAC7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3N3O3/c1-2-3-16-6(10(19)20)4-9(18)17-8(16)5-7(15-17)11(12,13)14/h4-5H,2-3H2,1H3,(H,19,20)
InChIKeyKFZZRISVSCIQBK-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.62
Rot. Bonds3

About 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271495) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271495
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3N3O3/c1-2-3-16-6(10(19)20)4-9(18)17-8(16)5-7(15-17)11(12,13)14/h4-5H,2-3H2,1H3,(H,19,20)
InChIKeyKFZZRISVSCIQBK-UHFFFAOYSA-N
XLogP1.62
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271495) is 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is KFZZRISVSCIQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-2-3-16-6(10(19)20)4-9(18)17-8(16)5-7(15-17)11(12,13)14/h4-5H,2-3H2,1H3,(H,19,20).
What are the key properties of 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).