| CAS Number | 1306602-94-7 |
| Catalog Number | AG01AIIP(AGN-PC-0WOBB4) |
| Chemical Name | 3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one |
| IUPAC Name | 3-amino-1-(1-methylpyrazol-4-yl)piperidin-2-one |
| InChI | InChI=1S/C9H14N4O/c1-12-6-7(5-11-12)13-4-2-3-8(10)9(13)14/h5-6,8H,2-4,10H2,1H3 |
| InChI Key | PHVAKYVNJQPQSD-UHFFFAOYSA-N |
| MDL Number | MFCD18839098 |
| Molecular Formula | C9H14N4O |
| Molecular Weight | 194.2337 |
| SMILES | CN1N=CC(N2C(=O)C(N)CCC2)=C1 |
| Synonyms | 3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one,
1306602-94-7,
AKOS013487525,
MCULE-7662783078,
NE16388,
EN300-77960,
Z1259162063,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.238g/mol |
| Monoisotopic Mass | 194.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number