| CAS Number | 1025724-78-0 |
| Catalog Number | AG00IS0D(AGN-PC-0WAWCX) |
| Chemical Name | ethyl 5-(3-aminophenyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 3-(3-aminophenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15) |
| InChI Key | MPOQSVFICVMPKW-UHFFFAOYSA-N |
| MDL Number | MFCD03848687 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | O=C(C1=NNC(C2=CC=CC(N)=C2)=C1)OCC |
| Synonyms | 1025724-78-0,
ethyl 5-(3-aminophenyl)-1H-pyrazole-3-carboxylate,
5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylicacidethylester,
5-(3-AMINO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER,
AC1LSC7Z,
CTK6F7429,
KS-00001ZZT,
ZINC1399572,
MFCD03848687,
AKOS005100109,
MCULE-6411604122,
7W-0806,
902A057,
SR-01000306915,
ethyl 3-(3-aminophenyl)-1H-pyrazole-5-carboxylate,
SR-01000306915-1,
ZINC01399572,
CID1485645,
|
| Complexity | 273 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number