| CAS Number | 1334147-32-8 |
| Catalog Number | AG01ABB1(AGN-PC-0WO5I3) |
| Chemical Name | 2-{4-[(piperazin-1-yl)methyl]-1H-pyrazol-1-yl}ethan-1-ol |
| IUPAC Name | 2-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]ethanol |
| InChI | InChI=1S/C10H18N4O/c15-6-5-14-9-10(7-12-14)8-13-3-1-11-2-4-13/h7,9,11,15H,1-6,8H2 |
| InChI Key | OTLSFXMQCYUEIX-UHFFFAOYSA-N |
| MDL Number | MFCD19982334 |
| Molecular Formula | C10H18N4O |
| Molecular Weight | 210.2761 |
| SMILES | OCCN1N=CC(CN2CCNCC2)=C1 |
| Synonyms | 2-[4-(piperazin-1-ylmethyl)-1H-pyrazol-1-yl]ethan-1-ol,
1334147-32-8,
ZINC68587376,
AKOS012862879,
MCULE-8544907778,
NE57996,
EN300-71051,
Z1263775186,
2-{4-[(piperazin-1-yl)methyl]-1H-pyrazol-1-yl}ethan-1-ol,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.281g/mol |
| Monoisotopic Mass | 210.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
Lot Number