| CAS Number | 1187385-91-6 |
| Catalog Number | AG003KUL(AGN-PC-07XU8W) |
| Chemical Name | 4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole |
| IUPAC Name | 4-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole |
| InChI | InChI=1S/C13H14BrN3O2S/c14-11-9-15-17(10-11)12-3-5-13(6-4-12)20(18,19)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2 |
| InChI Key | YZYSDVOOLVZULZ-UHFFFAOYSA-N |
| MDL Number | MFCD12756456 |
| Molecular Formula | C13H14BrN3O2S |
| Molecular Weight | 356.2382 |
| SMILES | O=S(C1=CC=C(N2N=CC(Br)=C2)C=C1)(N3CCCC3)=O |
| Synonyms | 1187385-91-6,
4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole,
4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazole,
C13H14BrN3O2S,
ACMC-2099yx,
CTK4B0840,
DTXSID70674919,
ANW-17191,
MFCD12756456,
ZINC38537352,
AKOS015835027,
AJ-96086,
AX8229735,
ST2405570,
TR-034258,
Z7971,
A-5278,
I11-654,
4-Bromo-1-[4-(pyrrolidine-1-sulfonyl)phenyl]-1H-pyrazole,
4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl)-phenyl)-1H-pyrazole,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.238g/mol |
| Monoisotopic Mass | 354.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number