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

C20H16N4O3 — CID 3064536

IUPACethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3
InChIKeyDIQBDSRAUNQCCA-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.75
Rot. Bonds4

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

ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (PubChem CID 3064536) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
PubChem CID3064536
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Nameethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3
InChIKeyDIQBDSRAUNQCCA-UHFFFAOYSA-N
XLogP2.75
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.75
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
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329
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
5-(ethylamino)-N-(5-(ethylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52946354
Ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 56970809

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (CID 3064536) is ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O.
What is the InChIKey of ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is DIQBDSRAUNQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3.
What are the key properties of ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3064536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).