| CAS Number | 1909311-76-7 |
| Catalog Number | AG01C1LN |
| Chemical Name | 1-methyl-N-[(pyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide dihydrochloride |
| IUPAC Name | 1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;dihydrochloride |
| InChI | InChI=1S/C10H16N4O.2ClH/c1-14-7-8(5-13-14)10(15)12-6-9-3-2-4-11-9;;/h5,7,9,11H,2-4,6H2,1H3,(H,12,15);2*1H |
| InChI Key | RUMQUAIELRTFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD29047355 |
| Molecular Formula | C10H18Cl2N4O |
| Molecular Weight | 281.1821 |
| SMILES | Cl.Cl.CN1N=CC(C(NCC2NCCC2)=O)=C1 |
| Synonyms | 1-methyl-N-[(pyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide dihydrochloride,
1909311-76-7,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.181g/mol |
| Monoisotopic Mass | 280.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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