| CAS Number | 1154569-05-7 |
| Catalog Number | AG01A0B4 |
| Chemical Name | 1-Benzyl-3-(propan-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-benzyl-5-propan-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C13H17N3/c1-10(2)12-8-13(14)16(15-12)9-11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3 |
| InChI Key | NKFGUVGGLFKUIE-UHFFFAOYSA-N |
| MDL Number | MFCD12168868 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | CC(C1=NN(CC2=CC=CC=C2)C(N)=C1)C |
| Synonyms | 1-benzyl-3-(propan-2-yl)-1H-pyrazol-5-amine,
1154569-05-7,
ZINC37291302,
AKOS009476091,
Z2472860016,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.3g/mol |
| Monoisotopic Mass | 215.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number