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

C14H9N3O4 — CID 19916307

IUPAC5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1
InChIInChI=1S/C14H9N3O4/c18-13(19)10-7-12-15-9(8-4-2-1-3-5-8)6-11(14(20)21)17(12)16-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyUFQSPIZFWNELQI-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.79
Rot. Bonds3

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

5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid (PubChem CID 19916307) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid.

Molecular Properties

Compound Name5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
PubChem CID19916307
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1
InChIInChI=1S/C14H9N3O4/c18-13(19)10-7-12-15-9(8-4-2-1-3-5-8)6-11(14(20)21)17(12)16-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyUFQSPIZFWNELQI-UHFFFAOYSA-N
XLogP1.79
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
2-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617789
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 143022801
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 46079833
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 125456084

Frequently Asked Questions

What is the IUPAC name of 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The IUPAC name of 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid (CID 19916307) is 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid.
What is the SMILES notation for 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The canonical SMILES for 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid is O=C(O)c1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1.
What is the InChIKey of 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
The InChIKey is UFQSPIZFWNELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-13(19)10-7-12-15-9(8-4-2-1-3-5-8)6-11(14(20)21)17(12)16-10/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid?
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid is sourced from PubChem (CID 19916307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).