ethyl 5-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
Basic information
- CAS
477709-25-4- Standard SMILES
CCCNC(=O)C(=O)c1cccn1-c1c(C(=O)OCC)cnn1-c1ccccc1- InChIKey
GBBIYGWZBHPRPY-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.1641052
Names & identifiers
- Preferred name
- ethyl 5-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate
- English name
- ETHYL 5-(2-[2-OXO-2-(PROPYLAMINO)ACETYL]-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
- Molecular formula
- C21H22N4O4
- Molecular weight
- 394.42
Names & synonyms
477709-25-4ethyl 5-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylateethyl 1-phenyl-5-{2-[(propylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1H-pyrazole-4-carboxylateethyl 5-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylateEthyl 5-(2-(2-oxo-2-(propylamino)acetyl)-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylateBionet1_004516HMS581N18AKOS00507889211P-358Sethyl1-phenyl-5-{2-[(propylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1H-pyrazole-4-carboxylateETHYL 5-(2-[2-OXO-2-(PROPYLAMINO)ACETYL]-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE1H-Pyrazole-4-carboxylic acid, 5-[2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl]-1-phenyl-, ethyl ester
Database identifiers
- CAS
477709-25-4- PubChem CID
- 2767885
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.19 · 12.19±0.46(Predicted)
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Compound notes
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