| CAS Number | 1185535-24-3 |
| Catalog Number | AG01E8F7 |
| Chemical Name | 2-(1H-Pyrazol-3-yl)piperidine |
| IUPAC Name | 2-(1H-pyrazol-5-yl)piperidine |
| InChI | InChI=1S/C8H13N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h4,6-7,9H,1-3,5H2,(H,10,11) |
| InChI Key | JNOYHGAZDBVHEM-UHFFFAOYSA-N |
| MDL Number | MFCD14707676 |
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.2089 |
| SMILES | C1CNC(C2=NNC=C2)CC1 |
| Synonyms | 2-(1H-pyrazol-3-yl)piperidine,
1185535-24-3,
1185301-67-0,
ALBB-029961,
AKOS015920502,
AKOS022904476,
CCG-209429,
piperidine, 2-(1H-pyrazol-5-yl)-, dihydrochloride,
Z2044770199,
2-(1H-Pyrazol-3-yl)-piperidine,
2-(1H-Pyrazol-5-yl)piperidine dihydrochloride,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.213g/mol |
| Monoisotopic Mass | 151.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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