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

C21H17N3O2 — CID 53212228

IUPAC5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)n3ncc(C(=O)O)c3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-3-7-15(8-4-13)18-11-19(16-9-5-14(2)6-10-16)24-20(23-18)17(12-22-24)21(25)26/h3-12H,1-2H3,(H,25,26)
InChIKeyXEIZZJBOZXHVRH-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.38
Rot. Bonds3

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

5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 53212228) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID53212228
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)n3ncc(C(=O)O)c3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-3-7-15(8-4-13)18-11-19(16-9-5-14(2)6-10-16)24-20(23-18)17(12-22-24)21(25)26/h3-12H,1-2H3,(H,25,26)
InChIKeyXEIZZJBOZXHVRH-UHFFFAOYSA-N
XLogP4.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
N-benzyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113908
[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 15998029
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 87767602

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 53212228) is 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1ccc(-c2cc(-c3ccc(C)cc3)n3ncc(C(=O)O)c3n2)cc1.
What is the InChIKey of 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is XEIZZJBOZXHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-3-7-15(8-4-13)18-11-19(16-9-5-14(2)6-10-16)24-20(23-18)17(12-22-24)21(25)26/h3-12H,1-2H3,(H,25,26).
What are the key properties of 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 53212228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).