| CAS Number | 1193387-47-1 |
| Catalog Number | AG019R1Z |
| Chemical Name | [1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine |
| IUPAC Name | (1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine |
| InChI | InChI=1S/C13H17N3/c1-10(2)13-11(8-14)9-16(15-13)12-6-4-3-5-7-12/h3-7,9-10H,8,14H2,1-2H3 |
| InChI Key | ALAMOTODCYKTBF-UHFFFAOYSA-N |
| MDL Number | MFCD12913253 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | CC(C1C(CN)=CN(C2=CC=CC=C2)N=1)C |
| Synonyms | [1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine,
(3-isopropyl-1-phenyl-1H-pyrazol-4-yl)methylamine,
1193387-47-1,
AC1Q1OY2,
SCHEMBL16830482,
CTK7E6804,
ZINC36379930,
AKOS034591989,
MCULE-4798260166,
NE40687,
EN300-88891,
Z803153202,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number