5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid

C11H11N3O3 — CID 137015338

IUPAC5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)c3c(n2n1)CCCC3
InChIInChI=1S/C11H11N3O3/c15-10-6-3-1-2-4-8(6)14-9(12-10)5-7(13-14)11(16)17/h5H,1-4H2,(H,12,15)(H,16,17)
InChIKeyJEXGDLBXUDNGEV-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.60
Rot. Bonds1

About 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid

5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid (PubChem CID 137015338) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid
PubChem CID137015338
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)c3c(n2n1)CCCC3
InChIInChI=1S/C11H11N3O3/c15-10-6-3-1-2-4-8(6)14-9(12-10)5-7(13-14)11(16)17/h5H,1-4H2,(H,12,15)(H,16,17)
InChIKeyJEXGDLBXUDNGEV-UHFFFAOYSA-N
XLogP0.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 136869021
4-thiophen-2-yl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 137004242
1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),9,11-trien-7-one
CID 136773914
7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 137004160
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
CID 22605296
1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16771623
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812164
1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
CID 67476667
1-(4-bromo-2,6-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 28993505
1-methylsulfanyl-6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 137253156
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-(3,4,5-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62812163

Frequently Asked Questions

What is the IUPAC name of 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid?
The IUPAC name of 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid (CID 137015338) is 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid.
What is the SMILES notation for 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid?
The canonical SMILES for 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid is O=C(O)c1cc2[nH]c(=O)c3c(n2n1)CCCC3.
What is the InChIKey of 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid?
The InChIKey is JEXGDLBXUDNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-6-3-1-2-4-8(6)14-9(12-10)5-7(13-14)11(16)17/h5H,1-4H2,(H,12,15)(H,16,17).
What are the key properties of 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid?
5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid is sourced from PubChem (CID 137015338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).