| CAS Number | 1374829-43-2 |
| Catalog Number | AG019ET3(AGN-PC-0WG3P6) |
| Chemical Name | 2-Methyl-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide |
| IUPAC Name | 2-methyl-2-(3-methyl-4-nitropyrazol-1-yl)propanamide |
| InChI | InChI=1S/C8H12N4O3/c1-5-6(12(14)15)4-11(10-5)8(2,3)7(9)13/h4H,1-3H3,(H2,9,13) |
| InChI Key | WJDDVKQDZUPKRU-UHFFFAOYSA-N |
| MDL Number | MFCD23161798 |
| Molecular Formula | C8H12N4O3 |
| Molecular Weight | 212.2059 |
| SMILES | NC(=O)C(n1nc(c(c1)[N+](=O)[O-])C)(C)C |
| Synonyms | 2-methyl-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide,
1374829-43-2,
SCHEMBL4561198,
WJDDVKQDZUPKRU-UHFFFAOYSA-N,
MFCD23161798,
ZINC139926320,
CS-0037212,
2-methyl-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide(WXC06708),
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.209g/mol |
| Monoisotopic Mass | 212.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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