pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid

C8H5N3O4 — CID 125456084

IUPACpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2nccc(C(=O)O)n2n1
InChIInChI=1S/C8H5N3O4/c12-7(13)4-3-6-9-2-1-5(8(14)15)11(6)10-4/h1-3H,(H,12,13)(H,14,15)
InChIKeyFKZMTPPEMLXARG-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.13
Rot. Bonds2

About pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid

pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid (PubChem CID 125456084) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
PubChem CID125456084
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Namepyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2nccc(C(=O)O)n2n1
InChIInChI=1S/C8H5N3O4/c12-7(13)4-3-6-9-2-1-5(8(14)15)11(6)10-4/h1-3H,(H,12,13)(H,14,15)
InChIKeyFKZMTPPEMLXARG-UHFFFAOYSA-N
XLogP0.13
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200540
7-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4774397
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
1-sulfanylpyrazole-3,5-dicarboxylic acid
CID 20573952
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168595331
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
7-[3-(1,2,2-tricyanoethenylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168609279
1-[[4-[(3,5-dicarboxypyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3,5-dicarboxylic acid
CID 141465546
5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 90695501
7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 7029195

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid (CID 125456084) is pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid is O=C(O)c1cc2nccc(C(=O)O)n2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The InChIKey is FKZMTPPEMLXARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-7(13)4-3-6-9-2-1-5(8(14)15)11(6)10-4/h1-3H,(H,12,13)(H,14,15).
What are the key properties of pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid has a molecular weight of 207.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid is sourced from PubChem (CID 125456084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).