| CAS Number | 1422535-52-1 |
| Catalog Number | AG01EO5U(AGN-PC-3H467J) |
| Chemical Name | T-3775440 hydrochloride |
| IUPAC Name | N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H22N4O.ClH/c1-22-11-14(10-20-22)18(23)21-15-6-4-13(5-7-15)16-8-17(16)19-9-12-2-3-12;/h4-7,10-12,16-17,19H,2-3,8-9H2,1H3,(H,21,23);1H/t16-,17+;/m0./s1 |
| InChI Key | XYFPAGOQZFSLFH-MCJVGQIASA-N |
| MDL Number | MFCD31692337 |
| Molecular Formula | C18H23ClN4O |
| Molecular Weight | 346.8544 |
| SMILES | N1N(C)C=C(C(NC2C=CC([C@H]3[C@H](NCC4CC4)C3)=CC=2)=O)C=1.Cl |
| Synonyms | T-3775440 hydrochloride,
1422535-52-1,
SCHEMBL15789532,
XYFPAGOQZFSLFH-MCJVGQIASA-N,
HY-103085,
CS-0023825,
N-(4-{trans-2-[(cyclopropylmethyl)amino]cyclopropyl}phenyl)-1-methyl-1H-pyrazole-4-carboxamide hydrochloride,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.156039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.9g/mol |
| Monoisotopic Mass | 346.156039g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number