| CAS Number | 62564-91-4 |
| Catalog Number | AG01DSRY(AGN-PC-0NILXK) |
| Chemical Name | 5-Amino-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-amino-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H9N3O/c11-10-8(7-14)6-12-13(10)9-4-2-1-3-5-9/h1-7H,11H2 |
| InChI Key | MTPJWTSHVKOZNW-UHFFFAOYSA-N |
| MDL Number | MFCD20691077 |
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.1980 |
| SMILES | NC1N(C2=CC=CC=C2)N=CC=1C=O |
| Synonyms | 5-amino-1-phenyl-1H-pyrazole-4-carbaldehyde,
62564-91-4,
5-amino-1-phenyl-1H-pyrazole-4-carboxaldehyde,
SCHEMBL2649068,
CTK2B7245,
DTXSID80490728,
MTPJWTSHVKOZNW-UHFFFAOYSA-N,
ZINC39208234,
AKOS030620213,
1H-Pyrazole-4-carboxaldehyde, 5-amino-1-phenyl-,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.202g/mol |
| Monoisotopic Mass | 187.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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