| CAS Number | 1174838-25-5 |
| Catalog Number | AG019T12(AGN-PC-0WBCQP) |
| Chemical Name | 1-benzyl-4-methyl-1H-pyrazol-3-amine |
| IUPAC Name | 1-benzyl-4-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H13N3/c1-9-7-14(13-11(9)12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13) |
| InChI Key | DUEGSZUKVOJROP-UHFFFAOYSA-N |
| MDL Number | MFCD11215421 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.241 |
| SMILES | CC1C(N)=NN(CC2=CC=CC=C2)C=1 |
| Synonyms | 1-benzyl-4-methyl-1H-pyrazol-3-amine,
1174838-25-5,
4-methyl-1-benzylpyrazole-3-ylamine,
1-benzyl-4-methyl-2,3-dihydro-1H-pyrazol-3-imine,
CHEMBL3487063,
SCHEMBL17610379,
MFCD11215421,
SBB027029,
STK510400,
ZINC35655703,
AKOS005169101,
MCULE-3273516797,
ST45135706,
Z2106601929,
|
| Complexity | 177 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number