| CAS Number | 925199-99-1 |
| Catalog Number | AG00GVGP(AGN-PC-0WB5PE) |
| Chemical Name | 1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(1-ethyl-5-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H15N3O3/c1-3-14-7(2)4-9(12-14)13-6-8(11(16)17)5-10(13)15/h4,8H,3,5-6H2,1-2H3,(H,16,17) |
| InChI Key | WZWUUBWUAYZWAC-UHFFFAOYSA-N |
| MDL Number | MFCD09431135 |
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.2551 |
| SMILES | C1(C=C(N(CC)N=1)C)N1CC(CC1=O)C(O)=O |
| Synonyms | 1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
925199-99-1,
CTK6B5646,
DTXSID70586326,
ALBB-003618,
ZX-AN003597,
ZX-CM000615,
3349AF,
MFCD09431135,
STK487020,
AKOS003237605,
AKOS016345359,
MCULE-8864552321,
RTR-053726,
TR-053726,
Y-5275,
1-(1-ethyl-5-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid(SALTDATA,
C11H15N3O3,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.259g/mol |
| Monoisotopic Mass | 237.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number