7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

C12H9N3O3 — CID 135723021

IUPAC7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12
InChIInChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyHFRAJTCXWYFTKK-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.18
Rot. Bonds1

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

7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (PubChem CID 135723021) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
PubChem CID135723021
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12
InChIInChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyHFRAJTCXWYFTKK-UHFFFAOYSA-N
XLogP1.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-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

3-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135463124
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137004182
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
5-methylpyrazolo[1,5-b]pyridazine-3-carboxylic acid
CID 74888888
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141148742
4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 137126613
7-methyl-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 50761996

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (CID 135723021) is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12.
What is the InChIKey of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The InChIKey is HFRAJTCXWYFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is sourced from PubChem (CID 135723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).