| CAS Number | 1297537-33-7 |
| Catalog Number | AG009CJH |
| Chemical Name | ORM-15341 |
| EC Number | 941-760-1 |
| IUPAC Name | 3-acetyl-N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide |
| InChI | InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1 |
| InChI Key | GMBPVBVTPBWIKC-NSHDSACASA-N |
| MDL Number | MFCD29472275 |
| Molecular Formula | C19H17ClN6O2 |
| Molecular Weight | 396.8303 |
| SMILES | C[C@@H](Cn1ccc(n1)c2ccc(c(c2)Cl)C#N)NC(=O)c3cc([nH]n3)C(=O)C |
| UNII | 9EPS75QMTL |
| Synonyms | ORM-15341,
UNII-9EPS75QMTL,
9EPS75QMTL,
1297537-33-7,
GMBPVBVTPBWIKC-NSHDSACASA-N,
SCHEMBL1815556,
AKOS030526386,
ZINC117197765,
CS-5191,
NCGC00485475-01,
HY-19337,
(S)-3-acetyl-N-(1-(3-(3-chloro-4-cyano-phenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-5-carboxamide,
(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide,
1H-Pyrazole-3-carboxamide, 5-acetyl-N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-,
(S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-5-carboxamide,
|
| Complexity | 637 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.835g/mol |
| Monoisotopic Mass | 396.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number