| CAS Number | 1153040-84-6 |
| Catalog Number | AG01C184 |
| Chemical Name | 3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-amine |
| IUPAC Name | 3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-amine |
| InChI | InChI=1S/C12H15N3/c1-8-5-4-6-11(7-8)15-10(3)12(13)9(2)14-15/h4-7H,13H2,1-3H3 |
| InChI Key | QZOVROLTCHDEMG-UHFFFAOYSA-N |
| MDL Number | MFCD11935815 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CC1C(N)=C(C)N(C2=CC(C)=CC=C2)N=1 |
| Synonyms | 3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-amine,
1153040-84-6,
SCHEMBL11653918,
ZINC32010017,
AKOS009581355,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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