| CAS Number | 650628-19-6 |
| Catalog Number | AG006TLE(AGN-PC-0NHY2H) |
| Chemical Name | 5-Amino-1-(2-methoxyphenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(2-methoxyphenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C11H10N4O/c1-16-10-5-3-2-4-9(10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3 |
| InChI Key | BVTDTJIVDSFGOW-UHFFFAOYSA-N |
| MDL Number | MFCD00128342 |
| Molecular Formula | C11H10N4O |
| Molecular Weight | 214.2233 |
| SMILES | COC1=C(N2C(N)=C(C#N)C=N2)C=CC=C1 |
| Synonyms | 5-amino-1-(2-methoxyphenyl)-1H-pyrazole-4-carbonitrile,
650628-19-6,
1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-methoxyphenyl)-,
SCHEMBL1457153,
CTK2A0339,
DTXSID70478616,
BVTDTJIVDSFGOW-UHFFFAOYSA-N,
ZINC32012909,
AKOS012333309,
BC4457379,
EN300-295379,
Z2509351190,
5-amino-1-(2-methoxyphenyl)pyrazole-4-carbonitrile,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.228g/mol |
| Monoisotopic Mass | 214.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number