2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde

C12H9N3O2 — CID 135464724

IUPAC2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
SMILESCc1nn2c([nH]c(=O)c3ccccc32)c1C=O
InChIInChI=1S/C12H9N3O2/c1-7-9(6-16)11-13-12(17)8-4-2-3-5-10(8)15(11)14-7/h2-6H,1H3,(H,13,17)
InChIKeyPSEATALZDITBAR-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.30
Rot. Bonds1

About 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde

2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde (PubChem CID 135464724) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
PubChem CID135464724
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
SMILESCc1nn2c([nH]c(=O)c3ccccc32)c1C=O
InChIInChI=1S/C12H9N3O2/c1-7-9(6-16)11-13-12(17)8-4-2-3-5-10(8)15(11)14-7/h2-6H,1H3,(H,13,17)
InChIKeyPSEATALZDITBAR-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-methylbenzamide
CID 135753056
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 135753074
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135753076
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939590
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 732509
Pyrazolo[4,3-c]pyridine-4,6(5H,7H)-dione, 3-amino-2-phenyl-
CID 555805
3-Methyl-1-(3-nitro-phenyl)-1,9-dihydro-pyrazolo[3,4-b]quinolin-4-one
CID 135511922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde?
The IUPAC name of 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde (CID 135464724) is 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde is Cc1nn2c([nH]c(=O)c3ccccc32)c1C=O.
What is the InChIKey of 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde?
The InChIKey is PSEATALZDITBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-7-9(6-16)11-13-12(17)8-4-2-3-5-10(8)15(11)14-7/h2-6H,1H3,(H,13,17).
What are the key properties of 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde?
2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde has a molecular weight of 227.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde is sourced from PubChem (CID 135464724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).