ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate

C13H11N3O3 — CID 135407994

IUPACethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C13H11N3O3/c1-2-19-13(18)9-7-14-16-10-6-4-3-5-8(10)12(17)15-11(9)16/h3-7H,2H2,1H3,(H,15,17)
InChIKeyIIXIEYBXSSHPQB-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.35
Rot. Bonds2

About ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 135407994) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID135407994
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Nameethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C13H11N3O3/c1-2-19-13(18)9-7-14-16-10-6-4-3-5-8(10)12(17)15-11(9)16/h3-7H,2H2,1H3,(H,15,17)
InChIKeyIIXIEYBXSSHPQB-UHFFFAOYSA-N
XLogP1.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1756117
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
2-isobutylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 136123472
3-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939654
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
CID 3064533
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, monohydrate
CID 3064534
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
CID 3064535
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064536
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064537
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064538

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate (CID 135407994) is ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is IIXIEYBXSSHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-2-19-13(18)9-7-14-16-10-6-4-3-5-8(10)12(17)15-11(9)16/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 135407994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).