| CAS Number | 956726-82-2 |
| Catalog Number | AG019KD5 |
| Chemical Name | (1-benzyl-3-phenyl-1H-pyrazol-4-yl)methanamine |
| IUPAC Name | (1-benzyl-3-phenylpyrazol-4-yl)methanamine |
| InChI | InChI=1S/C17H17N3/c18-11-16-13-20(12-14-7-3-1-4-8-14)19-17(16)15-9-5-2-6-10-15/h1-10,13H,11-12,18H2 |
| InChI Key | UPIXZRBUSDMNDT-UHFFFAOYSA-N |
| MDL Number | MFCD08691346 |
| Molecular Formula | C17H17N3 |
| Molecular Weight | 263.3370 |
| SMILES | NCC1C(C2=CC=CC=C2)=NN(CC2=CC=CC=C2)C=1 |
| Synonyms | (1-benzyl-3-phenyl-1H-pyrazol-4-yl)methanamine,
(1-benzyl-3-phenyl-1H-pyrazol-4-yl)methylamine,
956726-82-2,
AC1Q541Z,
CHEMBL1708768,
CTK7E6808,
ZINC12505229,
AKOS023553260,
MCULE-2077202415,
NE27038,
NCGC00184873-01,
EN300-26441,
Z271138040,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.344g/mol |
| Monoisotopic Mass | 263.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number