5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H9N3O3 — CID 135429688

IUPAC5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3ccccc3)cc(=O)[nH]c12
InChIInChI=1S/C13H9N3O3/c17-11-6-10(8-4-2-1-3-5-8)16-12(15-11)9(7-14-16)13(18)19/h1-7H,(H,15,17)(H,18,19)
InChIKeyRLQZHPGWSNZCOU-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.39
Rot. Bonds2

About 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 135429688) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID135429688
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3ccccc3)cc(=O)[nH]c12
InChIInChI=1S/C13H9N3O3/c17-11-6-10(8-4-2-1-3-5-8)16-12(15-11)9(7-14-16)13(18)19/h1-7H,(H,15,17)(H,18,19)
InChIKeyRLQZHPGWSNZCOU-UHFFFAOYSA-N
XLogP1.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 135429688) is 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(-c3ccccc3)cc(=O)[nH]c12.
What is the InChIKey of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RLQZHPGWSNZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-11-6-10(8-4-2-1-3-5-8)16-12(15-11)9(7-14-16)13(18)19/h1-7H,(H,15,17)(H,18,19).
What are the key properties of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 135429688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).