| CAS Number | 1309081-44-4 |
| Catalog Number | AG01AIZR(AGN-PC-0WO141) |
| Chemical Name | 1-(1-Methyl-1H-pyrazol-4-yl)piperazin-2-one |
| IUPAC Name | 1-(1-methylpyrazol-4-yl)piperazin-2-one |
| InChI | InChI=1S/C8H12N4O/c1-11-6-7(4-10-11)12-3-2-9-5-8(12)13/h4,6,9H,2-3,5H2,1H3 |
| InChI Key | QWCNINBVJBCGES-UHFFFAOYSA-N |
| MDL Number | MFCD20318550 |
| Molecular Formula | C8H12N4O |
| Molecular Weight | 180.2071 |
| SMILES | CN1N=CC(N2C(=O)CNCC2)=C1 |
| Synonyms | 1-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one,
1309081-44-4,
SCHEMBL1766237,
QWCNINBVJBCGES-UHFFFAOYSA-N,
ZINC70651956,
AKOS013584679,
NE23418,
DA-12761,
FT-0743213,
2-Piperazinone,1-(1-methyl-1H-pyrazol-4-yl)-,
2-Piperazinone, 1-(1-methyl-1H-pyrazol-4-yl)-,
F8880-1576,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.211g/mol |
| Monoisotopic Mass | 180.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number