| CAS Number | 81303-52-8 |
| Catalog Number | AG00G9IP(AGN-PC-0WAN6W) |
| Chemical Name | Ethyl 5-carbamoyl-1-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-carbamoyl-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C8H11N3O3/c1-3-14-8(13)5-4-10-11(2)6(5)7(9)12/h4H,3H2,1-2H3,(H2,9,12) |
| InChI Key | XPBLRFVLSZIMHA-UHFFFAOYSA-N |
| MDL Number | MFCD27923099 |
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.1912 |
| SMILES | CCOC(=O)c1cnn(c1C(=O)N)C |
| Synonyms | Ethyl 5-carbamoyl-1-methyl-1H-pyrazole-4-carboxylate,
81303-52-8,
AK142692,
SCHEMBL16211812,
DTXSID70857068,
XPBLRFVLSZIMHA-UHFFFAOYSA-N,
KS-00000RX5,
MFCD27923099,
ZINC75847559,
AKOS022175137,
DS-6528,
AJ-122018,
AX8282504,
ST24047091,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.194g/mol |
| Monoisotopic Mass | 197.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number