ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

C15H14N4O3 — CID 3064533

IUPACethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3
InChIKeyZJXGJCQDPGSRSC-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.30
Rot. Bonds3

About ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (PubChem CID 3064533) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
PubChem CID3064533
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3
InChIKeyZJXGJCQDPGSRSC-UHFFFAOYSA-N
XLogP1.30
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate 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

ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379
Ethyl 1-methyl-5-[(4-nitrobenzoyl)amino]pyrazole-4-carboxylate
CID 2079427
4(3H)-Quinazolinone, 3-(1-methyl-1H-pyrazol-5-yl)-
CID 63995
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
5-(4-Methyl-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 719913
Ethyl 5-amino-1-benzoylpyrazole-4-carboxylate
CID 801218
ethyl 2-(2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate
CID 3243625

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (CID 3064533) is ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O.
What is the InChIKey of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The InChIKey is ZJXGJCQDPGSRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 3064533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).