| CAS Number | 877399-60-5 |
| Catalog Number | AG00H32M(AGN-PC-0976Q1) |
| Chemical Name | 4-(4-Bromopyrazol-1-yl)piperidine |
| IUPAC Name | 4-(4-bromopyrazol-1-yl)piperidine |
| InChI | InChI=1S/C8H12BrN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2 |
| InChI Key | CUYMHWHMYSOTHL-UHFFFAOYSA-N |
| MDL Number | MFCD15474940 |
| Molecular Formula | C8H12BrN3 |
| Molecular Weight | 230.1050 |
| SMILES | BrC1=CN(C2CCNCC2)N=C1 |
| Synonyms | 4-(4-Bromo-1H-pyrazol-1-yl)piperidine,
877399-60-5,
4-(4-BROMO-PYRAZOL-1-YL)-PIPERIDINE,
4-(4-bromopyrazol-1-yl)piperidine,
SCHEMBL1428386,
CHEMBL3600719,
CUYMHWHMYSOTHL-UHFFFAOYSA-N,
2478AJ,
MFCD15474940,
ZINC43501220,
4-(4-bromo-pyrazol-1-yl)piperidine,
AKOS010951655,
MCULE-3747020769,
NE63253,
1-(4-Piperidinyl)-4-bromo-1H-pyrazole,
AJ-108664,
Piperidine, 4-(4-bromo-1H-pyrazol-1-yl)-,
C8H12BrN3,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.109g/mol |
| Monoisotopic Mass | 229.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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