5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H10F3N3O3 — CID 653953

IUPAC5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1
InChIInChI=1S/C15H10F3N3O3/c1-24-9-4-2-3-8(5-9)11-6-12(15(16,17)18)21-13(20-11)10(7-19-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyXRAFVTBHXRPEMD-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.12
Rot. Bonds3

About 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 653953) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID653953
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1
InChIInChI=1S/C15H10F3N3O3/c1-24-9-4-2-3-8(5-9)11-6-12(15(16,17)18)21-13(20-11)10(7-19-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyXRAFVTBHXRPEMD-UHFFFAOYSA-N
XLogP3.12
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 653953) is 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is XRAFVTBHXRPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c1-24-9-4-2-3-8(5-9)11-6-12(15(16,17)18)21-13(20-11)10(7-19-21)14(22)23/h2-7H,1H3,(H,22,23).
What are the key properties of 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 337.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 653953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).