| CAS Number | 90870-78-3 |
| Catalog Number | AG018S6L(AGN-PC-06HJTX) |
| Chemical Name | 2-[5-amino-3-(pyridin-3-yl)-1H-pyrazol-1-yl]ethan-1-ol |
| IUPAC Name | 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)ethanol |
| InChI | InChI=1S/C10H12N4O/c11-10-6-9(13-14(10)4-5-15)8-2-1-3-12-7-8/h1-3,6-7,15H,4-5,11H2 |
| InChI Key | GCNWFLWRPSHSBN-UHFFFAOYSA-N |
| MDL Number | MFCD11645235 |
| Molecular Formula | C10H12N4O |
| Molecular Weight | 204.2285 |
| SMILES | NC1N(CCO)N=C(C2=CN=CC=C2)C=1 |
| Synonyms | 2-[5-amino-3-(pyridin-3-yl)-1H-pyrazol-1-yl]ethan-1-ol,
90870-78-3,
ZINC36964341,
AKOS009356118,
NE29859,
F8888-0745,
Z1889902485,
1-(2-Hydroxyethyl)-3-(3-pyridinyl)-1H-pyrazole-5-amine,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.233g/mol |
| Monoisotopic Mass | 204.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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