| CAS Number | 1152526-79-8 |
| Catalog Number | AG019X61 |
| Chemical Name | 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-amine |
| InChI | InChI=1S/C13H17N3O2/c1-9-7-15-16(13(9)14)8-10-4-5-11(17-2)12(6-10)18-3/h4-7H,8,14H2,1-3H3 |
| InChI Key | DUJSJYBDDFYHFN-UHFFFAOYSA-N |
| MDL Number | MFCD11200847 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | COC1=C(OC)C=C(CN2C(N)=C(C)C=N2)C=C1 |
| Synonyms | 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1H-pyrazol-5-amine,
1152526-79-8,
AC1Q46W5,
CTK6J7510,
ZINC20579154,
AKOS008120862,
MCULE-9525703848,
NE15114,
EN300-54145,
Z1222394757,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.298g/mol |
| Monoisotopic Mass | 247.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number