≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sorrisi canonici | CC1(CN(CC1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)CO |
|---|---|
| IUPAC Name | 8-[[2-[(3S,4R)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide |
| InChIKey | JUOWWGNRWRLBSV-MEKGRNQZSA-N |
| INCHI | 1S/C32H32ClFN6O4/c1-31(16-41)14-39(15-32(31,2)17-42)26-12-24(25(33)13-36-26)30(44)37-20-7-3-18-4-10-22-27(29(35)43)38-40(28(22)23(18)11-20)21-8-5-19(34)6-9-21/h3,5-9,11-13,41-42H,4,10,14-17H2,1-2H3,(H2,35,43)(H,37,44)/t31-,32+ |
| Isomeri SMILES | C[C@@]1(CN(C[C@@]1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)CO |
| PubChem CID | 57519531 |
| Peso molecolare | 619.09 |
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 |
| Classe | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Naphthalenes Pyridinecarboxamides 2-heteroaryl carboxamides Pyrazole-5-carboxamides Dialkylarylamines Aminopyridines and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous halides Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Organofluorides Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Naphthalene - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - 2-heteroaryl carboxamide - Dialkylarylamine - Pyrazole-5-carboxamide - Halobenzene - Fluorobenzene - Aminopyridine - Aryl halide - Pyridine - Aryl chloride - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Pyrrolidine - Vinylogous halide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Solubilità | Solvent:DMSO, Max Conc. mg/mL: 61.91, Max Conc. mM: 100 |
|---|---|
| Peso molecolare | 619.100 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 618.216 Da |
| Monoisotopic Mass | 618.216 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
