| CAS Number | 381721-56-8 |
| Catalog Number | AG00D5PV(AGN-PC-03NZ6G) |
| Chemical Name | 1-[2-(1H-Pyrazol-1-YL)ethyl]piperazine |
| IUPAC Name | 1-(2-pyrazol-1-ylethyl)piperazine |
| InChI | InChI=1S/C9H16N4/c1-2-11-13(5-1)9-8-12-6-3-10-4-7-12/h1-2,5,10H,3-4,6-9H2 |
| InChI Key | ZPTBMAUXTXJLDH-UHFFFAOYSA-N |
| MDL Number | MFCD14678763 |
| Molecular Formula | C9H16N4 |
| Molecular Weight | 180.2501 |
| SMILES | C(N1CCNCC1)CN1N=CC=C1 |
| Synonyms | 1-[2-(1H-PYRAZOL-1-YL)ETHYL]PIPERAZINE,
381721-56-8,
F2199-0003,
SCHEMBL4841885,
DTXSID20624742,
PIPERAZINE, 1-[2-(1H-PYRAZOL-1-YL)ETHYL]- (9CI),
ZINC39114211,
1-[2-(pyrazol-1-yl)ethyl]piperazine,
AKOS010753171,
MCULE-3156218021,
piperazine,1-[2-(1h-pyrazol-1-yl)ethyl]-,
VU0494931-1,
L-4272,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.255g/mol |
| Monoisotopic Mass | 180.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number