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

C10H8F3N3O3 — CID 82271470

IUPAC4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-2-15-5(9(18)19)3-8(17)16-7(15)4-6(14-16)10(11,12)13/h3-4H,2H2,1H3,(H,18,19)
InChIKeyMNUWGMLCRQZURD-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.23
Rot. Bonds2

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

4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271470) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271470
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-2-15-5(9(18)19)3-8(17)16-7(15)4-6(14-16)10(11,12)13/h3-4H,2H2,1H3,(H,18,19)
InChIKeyMNUWGMLCRQZURD-UHFFFAOYSA-N
XLogP1.23
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271470) is 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MNUWGMLCRQZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-15-5(9(18)19)3-8(17)16-7(15)4-6(14-16)10(11,12)13/h3-4H,2H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 275.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).