| CAS Number | 1107061-07-3 |
| Catalog Number | AG01A95C(AGN-PC-0WO9BL) |
| Chemical Name | 5-(2,3-Dimethylphenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-(2,3-dimethylphenyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3/c1-7-4-3-5-9(8(7)2)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14) |
| InChI Key | NJBFTYJKOCGBAV-UHFFFAOYSA-N |
| MDL Number | MFCD09941063 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | NC1=NNC(C2=CC=CC(C)=C2C)=C1 |
| Synonyms | 3-(2,3-dimethylphenyl)-1H-pyrazol-5-amine,
1107061-07-3,
ZINC19484531,
AKOS000184489,
MCULE-5554578131,
NE56076,
EN300-64231,
AC1Q2DLG,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.110947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.24g/mol |
| Monoisotopic Mass | 187.110947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number