| CAS Number | 126417-86-5 |
| Catalog Number | AG00HRI2(AGN-PC-03F4HO) |
| Chemical Name | 1H-Pyrazol-5-amine, 1-methyl-3-(4-methylphenyl)- |
| IUPAC Name | 2-methyl-5-(4-methylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3/c1-8-3-5-9(6-4-8)10-7-11(12)14(2)13-10/h3-7H,12H2,1-2H3 |
| InChI Key | GTMIYUPNSLVGLF-UHFFFAOYSA-N |
| MDL Number | MFCD06637391 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | Cc1ccc(cc1)c1nn(c(c1)N)C |
| Synonyms | 1-Methyl-3-(p-tolyl)-1H-pyrazol-5-amine,
126417-86-5,
SCHEMBL13974502,
MFCD06637391,
SBB077728,
ZINC11851208,
AKOS005137147,
2-Methyl-5-(4-methylphenyl)pyrazol-3-amine,
CS-0036057,
FT-0752753,
1-methyl-3-(4-methylphenyl)pyrazole-5-ylamine,
1H-Pyrazol-5-amine, 1-methyl-3-(4-methylphenyl)-,
1-methyl-3-(4-methylphenyl)-1H-pyrazol-5-amine, AldrichCPR,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number