| CAS Number | 1152708-61-6 |
| Catalog Number | AG0094CD(AGN-PC-0WQWT6) |
| Chemical Name | 5-(3-Methoxyphenyl)-2-methylpyrazol-3-amine |
| IUPAC Name | 5-(3-methoxyphenyl)-2-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H13N3O/c1-14-11(12)7-10(13-14)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3 |
| InChI Key | FXIWGYYBITYODW-UHFFFAOYSA-N |
| MDL Number | MFCD00219635 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=CC(C2=NN(C)C(N)=C2)=CC=C1 |
| Synonyms | 3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-amine,
1152708-61-6,
5-(3-methoxyphenyl)-2-methylpyrazol-3-amine,
SCHEMBL13975280,
ZINC26511844,
AKOS009334815,
NE33751,
Z7691,
C11H13N3O,
CJ-17493,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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