| CAS Number | 1820587-57-2 |
| Catalog Number | AG0023BL(AGN-PC-0WANGN) |
| Chemical Name | (Z)-Methyl 2-(1-(2-chlorophenyl)-4-((3-(dimethylamino)phenyl)(methylamino)methylene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate |
| IUPAC Name | methyl 2-[2-(2-chlorophenyl)-4-[C-[3-(dimethylamino)phenyl]-N-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate |
| InChI | InChI=1S/C22H23ClN4O3/c1-24-21(14-8-7-9-15(12-14)26(2)3)20-17(13-19(28)30-4)25-27(22(20)29)18-11-6-5-10-16(18)23/h5-12,25H,13H2,1-4H3 |
| InChI Key | LAGIKXDZOLBOMW-UHFFFAOYSA-N |
| MDL Number | MFCD28369464 |
| Molecular Formula | C22H23ClN4O3 |
| Molecular Weight | 426.8960 |
| SMILES | CNC(=C1C(CC(=O)OC)=NN(C1=O)C1=CC=CC=C1Cl)C1=CC=CC(=C1)N(C)C |
| Synonyms | (Z)-Methyl 2-(1-(2-chlorophenyl)-4-((3-(dimethylamino)phenyl)(methylamino)methylene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate,
1820587-57-2,
AK164269,
SCHEMBL18258667,
MFCD28369464,
AKOS030228721,
ZINC215771000,
DS-8446,
ST24036528,
1640998-04-4,
methyl 2-[(4Z)-1-(2-chlorophenyl)-4-[[3-(dimethylamino)phenyl]-(methylamino)methylidene]-5-oxopyrazol-3-yl]acetate,
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| Complexity | 721 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 426.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 426.901g/mol |
| Monoisotopic Mass | 426.146g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number