5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C15H13N3O3 — CID 19916311

IUPAC5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n3nc(C)cc3n2)cc1
InChIInChI=1S/C15H13N3O3/c1-9-7-14-16-12(8-13(15(19)20)18(14)17-9)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3,(H,19,20)
InChIKeyZBNOGUHCSBIXIP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.41
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 19916311) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID19916311
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n3nc(C)cc3n2)cc1
InChIInChI=1S/C15H13N3O3/c1-9-7-14-16-12(8-13(15(19)20)18(14)17-9)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3,(H,19,20)
InChIKeyZBNOGUHCSBIXIP-UHFFFAOYSA-N
XLogP2.41
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916315
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 122364244

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 19916311) is 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is COc1ccc(-c2cc(C(=O)O)n3nc(C)cc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is ZBNOGUHCSBIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-7-14-16-12(8-13(15(19)20)18(14)17-9)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 19916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).