| CAS Number | 956198-18-8 |
| Catalog Number | AG019JGN(AGN-PC-0WOWLJ) |
| Chemical Name | 1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C12H15N3/c1-8-4-5-11(9(2)6-8)15-12(13)7-10(3)14-15/h4-7H,13H2,1-3H3 |
| InChI Key | SUVJXCVTYXQWDZ-UHFFFAOYSA-N |
| MDL Number | MFCD03982096 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CC1=NN(C2=C(C)C=C(C)C=C2)C(N)=C1 |
| Synonyms | 1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine,
956198-18-8,
AC1Q2PLX,
AC1M76ZP,
CHEMBL1739723,
CTK6B6754,
ZINC3296684,
AKOS008961153,
NE59025,
EN300-09390,
2-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine,
AB00638552-02,
ZINC03296684,
CID2412312,
|
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number