| CAS Number | 1015845-95-0 |
| Catalog Number | AG0004UX(AGN-PC-0WB3KT) |
| Chemical Name | 3-Methyl-1-(3-methylbenzyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C12H15N3/c1-9-4-3-5-11(6-9)8-15-12(13)7-10(2)14-15/h3-7H,8,13H2,1-2H3 |
| InChI Key | NWVYVQFRGXWZOA-UHFFFAOYSA-N |
| MDL Number | MFCD08457368 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | N1(CC2=CC=CC(C)=C2)N=C(C=C1N)C |
| Synonyms | 1015845-95-0,
3-METHYL-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-AMINE,
CTK3J9951,
DTXSID10650878,
ZX-CM004290,
MFCD08457368,
ZINC19090093,
AKOS011004414,
MCULE-1108164627,
AJ-71340,
Y-3909,
1H-Pyrazol-5-amine, 3-methyl-1-[(3-methylphenyl)methyl]-,
3-Methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-amine,
5-METHYL-2-(3-METHYL-BENZYL)-2H-PYRAZOL-3-YLAMINE,
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| Complexity | 207 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number