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

C10H8F3N3O2 — CID 3145955

IUPAC5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1cc(C(F)(F)F)n2nc(C(=O)O)cc2n1
InChIInChI=1S/C10H8F3N3O2/c1-2-5-3-7(10(11,12)13)16-8(14-5)4-6(15-16)9(17)18/h3-4H,2H2,1H3,(H,17,18)
InChIKeyXONLAGPWIJGLQG-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.01
Rot. Bonds2

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

5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 3145955) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID3145955
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1cc(C(F)(F)F)n2nc(C(=O)O)cc2n1
InChIInChI=1S/C10H8F3N3O2/c1-2-5-3-7(10(11,12)13)16-8(14-5)4-6(15-16)9(17)18/h3-4H,2H2,1H3,(H,17,18)
InChIKeyXONLAGPWIJGLQG-UHFFFAOYSA-N
XLogP2.01
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 3145955) is 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCc1cc(C(F)(F)F)n2nc(C(=O)O)cc2n1.
What is the InChIKey of 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is XONLAGPWIJGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-2-5-3-7(10(11,12)13)16-8(14-5)4-6(15-16)9(17)18/h3-4H,2H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 259.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 3145955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).