| CAS Number | 100061-56-1 |
| Catalog Number | AG0000S9(AGN-PC-0JNCEW) |
| Chemical Name | 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-1-(4-methylphenyl)pyrazole-4-carboxamide |
| InChI | InChI=1S/C11H12N4O/c1-7-2-4-8(5-3-7)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16) |
| InChI Key | MXBYCCRXPQPHBP-UHFFFAOYSA-N |
| MDL Number | MFCD11054265 |
| Molecular Formula | C11H12N4O |
| Molecular Weight | 216.2392 |
| NSC Number | 11616 |
| SMILES | CC1=CC=C(N2C(N)=C(C(N)=O)C=N2)C=C1 |
| Synonyms | 100061-56-1,
1H-Pyrazole-4-carboxamide, 5-amino-1-(4-methylphenyl)-,
5-amino-1-(p-tolyl)-1H-pyrazole-4-carboxamide,
5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxamide,
5-amino-1-(4-methylphenyl)pyrazole-4-carboxamide,
NSC11616,
AC1L5CRL,
ACMC-20m353,
SCHEMBL1692019,
CTK0G9104,
DTXSID80279191,
ZINC1718440,
NSC-11616,
AKOS004121292,
MCULE-7594717934,
EN300-222987,
Z55410578,
F2135-0890,
CID223714,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.244g/mol |
| Monoisotopic Mass | 216.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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