| CAS Number | 503818-85-7 |
| Catalog Number | AG01A8NM(AGN-PC-03MONY) |
| Chemical Name | 5-(3,5-Dimethylphenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3/c1-7-3-8(2)5-9(4-7)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14) |
| InChI Key | GKZKLQLTKBJEHC-UHFFFAOYSA-N |
| MDL Number | MFCD09927803 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | NC1=NNC(C2=CC(C)=CC(C)=C2)=C1 |
| Synonyms | 3-(3,5-dimethylphenyl)-1H-pyrazol-5-amine,
503818-85-7,
AC1Q2GVS,
1H-Pyrazol-3-amine, 5-(3,5-dimethylphenyl)-,
SCHEMBL4852024,
GKZKLQLTKBJEHC-UHFFFAOYSA-N,
ZINC19422876,
AKOS000167481,
MCULE-9875235337,
NE34755,
EN300-62108,
5-(3,5-Dimethyl-phenyl)2H-pyrazol-3-ylamine,
5-(3,5-dimethyl-phenyl)-2H-pyrazol-3-ylamine,
|
| Complexity | 185 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number