| CAS Number | 1152668-05-7 |
| Catalog Number | AG01B8P0 |
| Chemical Name | 1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-phenyl-5-thiophen-3-ylpyrazol-3-amine |
| InChI | InChI=1S/C13H11N3S/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2 |
| InChI Key | XUTWJZUMWOGOFO-UHFFFAOYSA-N |
| MDL Number | MFCD11209756 |
| Molecular Formula | C13H11N3S |
| Molecular Weight | 241.3115 |
| SMILES | NC1N(C2=CC=CC=C2)N=C(C2=CSC=C2)C=1 |
| Synonyms | 1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine,
1152668-05-7,
ZINC36938432,
AKOS005925447,
Z1998636411,
|
| 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 |
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Certificate of Analysis
Lot Number