4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
Basic information
- CAS
5995-77-7- Standard SMILES
O=C(O)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1- InChIKey
UULJCBVHRQFCLR-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2N3O3
- Average molar mass
- 404.2 g/mol
- Monoisotopic mass
- 403.0490467
Names & identifiers
- Preferred name
- 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
- IUPAC
- 4-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-4-oxobutanoic acid
Names & synonyms
5995-77-74-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acidSCHEMBL28209153DTXSID604115524-{[1-(3,4-Dichlorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-4-oxobutanoic acid
Database identifiers
- CAS
5995-77-7- PubChem CID
- 5227795
- DTXSID
DTXSID60411552
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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