5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C13H9N3O3 — CID 135455847

IUPAC5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H9N3O3/c17-12-7-10(8-4-2-1-3-5-8)16-11(14-12)6-9(15-16)13(18)19/h1-7H,(H,14,17)(H,18,19)
InChIKeyYWTGZRRGMPKJQZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.39
Rot. Bonds2

About 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 135455847) 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-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID135455847
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H9N3O3/c17-12-7-10(8-4-2-1-3-5-8)16-11(14-12)6-9(15-16)13(18)19/h1-7H,(H,14,17)(H,18,19)
InChIKeyYWTGZRRGMPKJQZ-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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Related Compounds

3-(Benzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992586
3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992591
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
1-Benzyl-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168271053
1-[(3,5-Dimethylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168274334
1-[(3,4-Difluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276085
1-[(2-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276760
1-[(4-Acetylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168278286
5-[(4-Methylbenzoyl)amino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 168278836
1-[(3-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168279045
5-[(4-Methylbenzoyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168279771

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 135455847) is 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2[nH]c(=O)cc(-c3ccccc3)n2n1.
What is the InChIKey of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is YWTGZRRGMPKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-12-7-10(8-4-2-1-3-5-8)16-11(14-12)6-9(15-16)13(18)19/h1-7H,(H,14,17)(H,18,19).
What are the key properties of 5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2-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-2-carboxylic acid is sourced from PubChem (CID 135455847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).