| CAS Number | 955584-79-9 |
| Catalog Number | AG01BEJM(AGN-PC-0WOV77) |
| Chemical Name | 3-ethyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-ethyl-4-thiophen-2-yl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C9H11N3S/c1-2-6-8(9(10)12-11-6)7-4-3-5-13-7/h3-5H,2H2,1H3,(H3,10,11,12) |
| InChI Key | RTWOAIQGFKQEFY-UHFFFAOYSA-N |
| MDL Number | MFCD08899211 |
| Molecular Formula | C9H11N3S |
| Molecular Weight | 193.2687 |
| SMILES | CCC1C(C2SC=CC=2)=C(N)NN=1 |
| Synonyms | 3-ethyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine,
955584-79-9,
ZINC8701431,
AKOS002671001,
AKOS030756236,
NE40623,
5-ethyl-4-(thiophen-2-yl)-1H-pyrazol-3-amine,
Z1888396935,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.268g/mol |
| Monoisotopic Mass | 193.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number