| ALogP | 1.55 |
|---|---|
| hba_count | 4 |
| HBD Count | 2 |
| Rotatable Bond | 5 |
| Pubchem Sid | 504773205 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773205 |
| Canonical Smiles | CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl |
| IUPAC Name | 6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide |
| InChIKey | YAGSZKAJPHGVOV-NSHDSACASA-N |
| INCHI | 1S/C18H18ClN5O3/c1-11(10-25)21-17(26)15-7-16(12-3-5-13(19)6-4-12)22-24(18(15)27)14-8-20-23(2)9-14/h3-9,11,25H,10H2,1-2H3,(H,21,26)/t11-/m0/s1 |
| Molecular Weight | 387.82 |
| Reaxy-Rn | 37833734 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37833734&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Chlorobenzenes N-acyl amines Vinylogous amides Heteroaromatic compounds Azoles Lactams Vinyl chlorides Hydrazones Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Halobenzene - Chlorobenzene - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2213064 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| L2213073 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| L2213078 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| L2213085 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| L2213099 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| L2213101 | Certificate of Analysis | Sep 17, 2025 | B414313 |
| Solubility | Solubility (25°C) In vitro DMSO: 78 mg/mL (201.12 mM); Ethanol: 1.5 mg/mL (3.86 mM); Water: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 78 |
| DMSO(mM) Max Solubility | 201.124232891548 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 387.800 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.11 Da |
| Monoisotopic Mass | 387.11 Da |
| Topological Polar Surface Area | 99.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
