| CAS Number | 1155927-22-2 |
| Catalog Number | AG019WLX |
| Chemical Name | ethyl 1-(4-aminophenyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 1-(4-aminophenyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)11-7-8-15(14-11)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3 |
| InChI Key | CQLZIUSOZQXZOK-UHFFFAOYSA-N |
| MDL Number | MFCD12417498 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | CCOC(C1=NN(C2=CC=C(N)C=C2)C=C1)=O |
| Synonyms | ethyl 1-(4-aminophenyl)-1H-pyrazole-3-carboxylate,
1155927-22-2,
AC1Q34EX,
CTK6F6942,
ZINC35452564,
AKOS009513404,
MCULE-7382190891,
NE44275,
EN300-52364,
Z763366256,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number