Molecule ID: 446816

IUPAC Name: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea

Description: The molecule is a member of the class of phenylureas that is urea which is substituted at position 1 by a 3-tert-butyl-1-methylpyrazol-5-yl group and at position 3 by a p-chlorophenyl group. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of pyrazoles, a member of monochlorobenzenes and a member of phenylureas.

SMILES: Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1

SELFIES: [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)

Molecular Properties:
- Polar Surface Area: 59.0 Ų
- LogP: 3.5