| CAS Number | 1062368-21-1 |
| Catalog Number | AG0039IS(AGN-PC-0WCJZB) |
| Chemical Name | 4-(4-Quinolinyl)-1H-pyrazol-3-amine |
| IUPAC Name | 4-quinolin-4-yl-1H-pyrazol-5-amine |
| InChI | InChI=1S/C12H10N4/c13-12-10(7-15-16-12)8-5-6-14-11-4-2-1-3-9(8)11/h1-7H,(H3,13,15,16) |
| InChI Key | CEQBFPXGFSEYRP-UHFFFAOYSA-N |
| MDL Number | MFCD24627430 |
| Molecular Formula | C12H10N4 |
| Molecular Weight | 210.2346 |
| SMILES | Nc1[nH]ncc1c2ccnc3ccccc23 |
| Synonyms | 1062368-21-1,
4-(quinolin-4-yl)-1H-pyrazol-5-amine,
4-(Quinolin-4-yl)-1H-pyrazol-3-amine,
4-(4-Quinolinyl)-1H-pyrazol-3-amine,
4-quinolin-4-yl-2H-pyrazol-3-ylamine,
SCHEMBL2059662,
SCHEMBL12779980,
MFCD24627430,
ZINC95836922,
4-quinolin-4-yl-1H-pyrazol-5-amine,
AKOS025396394,
QC-11587,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.24g/mol |
| Monoisotopic Mass | 210.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number