N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(3-methylphenyl)carbamoyl]amino]acetamide

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Basic information

CAS: 5880-14-8
Standard SMILES: CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1
InChIKey: JTQAOBIHTPWHKV-UHFFFAOYSA-N
Molecular formula: C27H34ClN5O2
Average molar mass: 496 g/mol
Monoisotopic mass: 495.240103

Names & identifiers

Preferred name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(3-methylphenyl)carbamoyl]amino]acetamide
IUPAC: N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[butyl-[(3-methylphenyl)carbamoyl]amino]acetamide

Names & synonyms

5880-14-8N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-[butyl-[(3-methylphenyl)carbamoyl]amino]acetamideDTXSID40411252N~2~-Butyl-N-[3-tert-butyl-1-(4-chlorophenyl)-1H-pyrazol-5-yl]-N~2~-[(3-methylphenyl)carbamoyl]glycinamide

Database identifiers

CAS: 5880-14-8
PubChem CID: 5223624
DTXSID: DTXSID40411252

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 79.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 692

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Compound notes

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