ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate

C22H20N4O3 — CID 3064538

IUPACethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyJMMKMNYAOKFWBF-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate

ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (PubChem CID 3064538) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
PubChem CID3064538
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyJMMKMNYAOKFWBF-UHFFFAOYSA-N
XLogP3.31
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
2-[2-(4-Oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetylamino]-benzoic acid methyl ester
CID 650943
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379
5-(2-Fluoro-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid diethylamide
CID 1350803
Ethyl 1-{4-[(3-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033204
Methyl 1-{4-[(4-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033224
Methyl 1-{4-[(3-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033228
ethyl 4-[(5-{[(2-fluorophenyl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)carbonyl]piperazine-1-carboxylate
CID 2920111
Ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-5-YL]benzoate
CID 5307961
Ethyl 5-amino-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]pyrazole-4-carboxylate
CID 2815825

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (CID 3064538) is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O.
What is the InChIKey of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is JMMKMNYAOKFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3064538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).