| CAS Number | 944154-76-1 |
| Catalog Number | AG01E5YN(AGN-PC-0WP1G3) |
| Chemical Name | 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridinylmethyl)-1H-pyrazole-3-carboxamide |
| IUPAC Name | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide |
| InChI | InChI=1S/C23H17Cl3N4O/c1-14-21(23(31)28-13-15-3-2-10-27-12-15)29-30(20-9-8-18(25)11-19(20)26)22(14)16-4-6-17(24)7-5-16/h2-12H,13H2,1H3,(H,28,31) |
| InChI Key | PJEIKJFNEFJFLA-UHFFFAOYSA-N |
| MDL Number | MFCD19690934 |
| Molecular Formula | C23H17Cl3N4O |
| Molecular Weight | 471.7663 |
| SMILES | O=C(NCC=1C=NC=CC1)C2=NN(C3=CC=C(Cl)C=C3Cl)C(C=4C=CC(Cl)=CC4)=C2C |
| UNII | N6MZ4N936N |
| Synonyms | MJ 15,
944154-76-1,
UNII-N6MZ4N936N,
N6MZ4N936N,
MJ-15,
MJ15,
SCHEMBL12191305,
ZINC98052567,
AKOS024457959,
API0007705,
NCGC00371029-01,
1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridinylmethyl)-,
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridinylmethyl)-1H-pyrazole-3-carboxamide,
|
| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 470.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.766g/mol |
| Monoisotopic Mass | 470.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number