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

C14H11N3O3 — CID 82271418

IUPAC2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H11N3O3/c1-8-2-4-9(5-3-8)10-6-12-15-11(14(19)20)7-13(18)17(12)16-10/h2-7,16H,1H3,(H,19,20)
InChIKeyNFOIAFAZANOOSB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.70
Rot. Bonds2

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

2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271418) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271418
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H11N3O3/c1-8-2-4-9(5-3-8)10-6-12-15-11(14(19)20)7-13(18)17(12)16-10/h2-7,16H,1H3,(H,19,20)
InChIKeyNFOIAFAZANOOSB-UHFFFAOYSA-N
XLogP1.70
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(dimethylamino)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 122663432
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
5-(methoxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761945
5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 86164563
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 156568345
5-amino-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13396558
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92558201
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
5-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382076
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271418) is 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1ccc(-c2cc3nc(C(=O)O)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NFOIAFAZANOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-2-4-9(5-3-8)10-6-12-15-11(14(19)20)7-13(18)17(12)16-10/h2-7,16H,1H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).