| CAS Number | 1015845-70-1 |
| Catalog Number | AG0004VF(AGN-PC-0WB3QJ) |
| Chemical Name | 1-(3-Chlorobenzyl)-4-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(3-chlorophenyl)methyl]-4-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H12ClN3/c1-8-6-14-15(11(8)13)7-9-3-2-4-10(12)5-9/h2-6H,7,13H2,1H3 |
| InChI Key | UWNPINHVNXBRAD-UHFFFAOYSA-N |
| MDL Number | MFCD08457374 |
| Molecular Formula | C11H12ClN3 |
| Molecular Weight | 221.6861 |
| SMILES | N1(CC2C=CC=C(Cl)C=2)N=CC(C)=C1N |
| Synonyms | 1015845-70-1,
1-(3-CHLOROBENZYL)-4-METHYL-1H-PYRAZOL-5-AMINE,
CTK3J9933,
DTXSID30650931,
ZX-CM005196,
MFCD08457374,
ZINC19091183,
AKOS009269805,
AJ-71566,
Y-3913,
1-[(3-Chlorophenyl)methyl]-4-methyl-1H-pyrazol-5-amine,
1H-Pyrazol-5-amine, 1-[(3-chlorophenyl)methyl]-4-methyl-,
2-(3-CHLORO-BENZYL)-4-METHYL-2H-PYRAZOL-3-YLAMINE,
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| Complexity | 212 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number