5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid

C9H7N3O4 — CID 90791486

IUPAC5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
SMILESCc1cc(C(=O)O)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H7N3O4/c1-4-2-6(9(15)16)12-7(11-4)5(3-10-12)8(13)14/h2-3H,1H3,(H,13,14)(H,15,16)
InChIKeyZDQOGRMBZSAOCW-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.43
Rot. Bonds2

About 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid

5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid (PubChem CID 90791486) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid.

Molecular Properties

Compound Name5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
PubChem CID90791486
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
SMILESCc1cc(C(=O)O)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H7N3O4/c1-4-2-6(9(15)16)12-7(11-4)5(3-10-12)8(13)14/h2-3H,1H3,(H,13,14)(H,15,16)
InChIKeyZDQOGRMBZSAOCW-UHFFFAOYSA-N
XLogP0.43
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719834
5-methyl-3-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 70296924
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25247790
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
7-(difluoromethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447131
5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104708911
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
CID 145182203
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-ylmethanone
CID 17060260

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid?
The IUPAC name of 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid (CID 90791486) is 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid.
What is the SMILES notation for 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid?
The canonical SMILES for 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid is Cc1cc(C(=O)O)n2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid?
The InChIKey is ZDQOGRMBZSAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-4-2-6(9(15)16)12-7(11-4)5(3-10-12)8(13)14/h2-3H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid?
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid is sourced from PubChem (CID 90791486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).