5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H10F3N3O2 — CID 652330

IUPAC5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1
InChIInChI=1S/C15H10F3N3O2/c1-8-2-4-9(5-3-8)11-6-12(15(16,17)18)21-13(20-11)10(7-19-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyMQXCBBAIUVFEKM-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 652330) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID652330
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1
InChIInChI=1S/C15H10F3N3O2/c1-8-2-4-9(5-3-8)11-6-12(15(16,17)18)21-13(20-11)10(7-19-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyMQXCBBAIUVFEKM-UHFFFAOYSA-N
XLogP3.42
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 652330) is 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MQXCBBAIUVFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-8-2-4-9(5-3-8)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-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 321.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).