| CAS Number | 1249269-25-7 |
| Catalog Number | AG01BCB1 |
| Chemical Name | 4-chloro-1-(pyrrolidin-3-yl)-1H-pyrazole |
| IUPAC Name | 4-chloro-1-pyrrolidin-3-ylpyrazole |
| InChI | InChI=1S/C7H10ClN3/c8-6-3-10-11(5-6)7-1-2-9-4-7/h3,5,7,9H,1-2,4H2 |
| InChI Key | HBUCZWOEPGBHOO-UHFFFAOYSA-N |
| MDL Number | MFCD16709726 |
| Molecular Formula | C7H10ClN3 |
| Molecular Weight | 171.6274 |
| SMILES | ClC1=CN(C2CNCC2)N=C1 |
| Synonyms | 4-chloro-1-(pyrrolidin-3-yl)-1H-pyrazole,
1249269-25-7,
AKOS011614001,
Z2168499560,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.628g/mol |
| Monoisotopic Mass | 171.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number