| CAS Number | 866472-29-9 |
| Catalog Number | AG008FH8(AGN-PC-0JY9I5) |
| Chemical Name | 1-(3-chloro-4-methylphenyl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(3-chloro-4-methylphenyl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H12ClN3/c1-7-3-4-9(6-10(7)12)15-11(13)5-8(2)14-15/h3-6H,13H2,1-2H3 |
| InChI Key | RQSIXJBWUWRVKB-UHFFFAOYSA-N |
| MDL Number | MFCD06003083 |
| Molecular Formula | C11H12ClN3 |
| Molecular Weight | 221.6861 |
| SMILES | N1(C2C=CC(=C(Cl)C=2)C)N=C(C=C1N)C |
| Synonyms | 1-(3-chloro-4-methylphenyl)-3-methyl-1H-pyrazol-5-amine,
866472-29-9,
AC1LIP8C,
SCHEMBL18692351,
CTK5F7052,
DTXSID90359059,
ZINC529032,
ZX-CM017548,
MFCD06003083,
STK234821,
AKOS000175220,
MCULE-3024503365,
AJ-23338,
Y-2018,
SR-01000290100,
SR-01000290100-1,
2-(3-chloro-4-methylphenyl)-5-methylpyrazol-3-amine,
1- -3-methyl-1H-pyrazol-5-amine,
CID935442,
ZINC00529032,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.688g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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