| CAS Number | 956568-62-0 |
| Catalog Number | AG019PZQ |
| Chemical Name | 2-[5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]ethan-1-ol |
| IUPAC Name | 2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol |
| InChI | InChI=1S/C12H15N3O2/c1-17-10-4-2-9(3-5-10)11-8-12(13)15(14-11)6-7-16/h2-5,8,16H,6-7,13H2,1H3 |
| InChI Key | VGGDVVLEGHRKHR-UHFFFAOYSA-N |
| MDL Number | MFCD08444896 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | COC1=CC=C(C2=NN(CCO)C(N)=C2)C=C1 |
| Synonyms | 2-[5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]ethanol,
2-[5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]ethan-1-ol,
956568-62-0,
2-(5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)ethanol,
AC1Q4AE9,
CTK8A5088,
ZINC20284682,
AKOS009113688,
EN300-86776,
Z228588760,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number