| CAS Number | 161952-26-7 |
| Catalog Number | AG019M96(AGN-PC-00UYEW) |
| Chemical Name | 1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-phenyl-5-thiophen-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C13H11N3S/c14-13-9-11(12-7-4-8-17-12)15-16(13)10-5-2-1-3-6-10/h1-9H,14H2 |
| InChI Key | BZGSXFFNBNQVJN-UHFFFAOYSA-N |
| MDL Number | MFCD08445236 |
| Molecular Formula | C13H11N3S |
| Molecular Weight | 241.3115 |
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)N |
| Synonyms | 1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine,
161952-26-7,
1-PHENYL-3-THIEN-2-YL-1H-PYRAZOL-5-AMINE,
AC1Q51IX,
SCHEMBL1820716,
CTK7D5907,
BZGSXFFNBNQVJN-UHFFFAOYSA-N,
ZINC13013718,
AKOS008090159,
MCULE-4887005032,
NE13907,
DB-005758,
FT-0763147,
EN300-35470,
2-phenyl-5-thiophen-2-yl-2H-pyrazol-3-ylamine,
1-Phenyl-3-thien-2-yl-1H-pyrazol-5-amine, AldrichCPR,
F2158-2230,
1-phenyl-3-(2-thienyl)-1H-Pyrazol-5-amine,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.312g/mol |
| Monoisotopic Mass | 241.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number