| CAS Number | 1361114-72-8 |
| Catalog Number | AG01BFSN(AGN-PC-0WNLKF) |
| Chemical Name | 5-(Pyrrolidin-2-yl)-1h-pyrazole dihydrochloride |
| IUPAC Name | 5-pyrrolidin-2-yl-1H-pyrazole;dihydrochloride |
| InChI | InChI=1S/C7H11N3.2ClH/c1-2-6(8-4-1)7-3-5-9-10-7;;/h3,5-6,8H,1-2,4H2,(H,9,10);2*1H |
| InChI Key | XWROSQRQLJYJCY-UHFFFAOYSA-N |
| MDL Number | MFCD18071363 |
| Molecular Formula | C7H13Cl2N3 |
| Molecular Weight | 210.1042 |
| SMILES | Cl.Cl.C1CC(C2NN=CC=2)NC1 |
| Synonyms | 5-(Pyrrolidin-2-yl)-1H-pyrazole dihydrochloride,
1361114-72-8,
3-Pyrrolidin-2-yl-1H-pyrazole dihydrochloride,
SCHEMBL16992220,
MFCD18071363,
AKOS026743013,
AKOS030238914,
3-(pyrrolidin-2-yl)-1H-pyrazole dihydrochloride,
3-(pyrrolidin-2-yl)-2H-pyrazole dihydrochloride,
5-pyrrolidin-2-yl-1H-pyrazole dihydrochloride,
1316223-60-5,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.102g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number