2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C15H13N3O4 — CID 82371033

IUPAC2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc3ncc(C(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O4/c1-21-10-3-4-13(22-2)11(5-10)12-6-14-16-7-9(15(19)20)8-18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQBXXENQJQOWCCS-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 82371033) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID82371033
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc3ncc(C(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O4/c1-21-10-3-4-13(22-2)11(5-10)12-6-14-16-7-9(15(19)20)8-18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQBXXENQJQOWCCS-UHFFFAOYSA-N
XLogP2.11
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025
2-(4-methoxy-2,6-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371047
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357020
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97271592
3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 16740487
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 156508030

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 82371033) is 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1ccc(OC)c(-c2cc3ncc(C(=O)O)cn3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is QBXXENQJQOWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-10-3-4-13(22-2)11(5-10)12-6-14-16-7-9(15(19)20)8-18(14)17-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82371033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).