AC1O31U8
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate
Also Known As: [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate|[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate
| Molecular Formula | C23H27ClN4O3 |
|---|---|
| Molecular Weight | 442.17715 g/mol |
| LogP | 3.81252 |
| Topological Polar Surface Area | 97.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.17715 |
| Monoisotopic Mass | 442.17715 |
| Heavy Atoms | 31 |
| Complexity | 1018.6779 |
Chemical Identifiers
| CAS Number | 1007191-02-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC(=O)NC(C)(C#N)C(C)C)Cl |
Product Overview
AC1O31U8 (CAS 1007191-02-7), with molecular formula C23H27ClN4O3 and molecular weight 442.17715 g/mol. IUPAC: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate.
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