| CAS Number | 1315366-21-2 |
| Catalog Number | AG01ABBO |
| Chemical Name | 1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazine |
| IUPAC Name | 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine |
| InChI | InChI=1S/C11H19ClN4/c1-3-10-9(11(12)15(2)14-10)8-16-6-4-13-5-7-16/h13H,3-8H2,1-2H3 |
| InChI Key | ABIXOWLPIOOLAA-UHFFFAOYSA-N |
| MDL Number | MFCD19381848 |
| Molecular Formula | C11H19ClN4 |
| Molecular Weight | 242.7484 |
| SMILES | CCC1C(CN2CCNCC2)=C(Cl)N(C)N=1 |
| Synonyms | 1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazine,
1315366-21-2,
ZINC68587406,
AKOS023650936,
MCULE-5843895522,
NE16491,
EN300-71104,
Z1695799337,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.751g/mol |
| Monoisotopic Mass | 242.13g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number