| CAS Number | 1221723-97-2 |
| Catalog Number | AG01A80O |
| Chemical Name | [1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methanamine |
| IUPAC Name | (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methanamine |
| InChI | InChI=1S/C15H14N4/c16-10-13-11-19(14-4-2-1-3-5-14)18-15(13)12-6-8-17-9-7-12/h1-9,11H,10,16H2 |
| InChI Key | FAUPMHLVKJGOCE-UHFFFAOYSA-N |
| MDL Number | MFCD15209572 |
| Molecular Formula | C15H14N4 |
| Molecular Weight | 250.2985 |
| SMILES | NCC1C(C2=CC=NC=C2)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | [1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methanamine,
1221723-97-2,
AC1Q5426,
ZINC47843755,
AKOS034748233,
MCULE-9682635949,
NE15880,
EN300-60369,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.305g/mol |
| Monoisotopic Mass | 250.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number