| CAS Number | 956568-66-4 |
| Catalog Number | AG019V6Q |
| Chemical Name | 2-[5-amino-3-(4-propylphenyl)-1H-pyrazol-1-yl]ethan-1-ol |
| IUPAC Name | 2-[5-amino-3-(4-propylphenyl)pyrazol-1-yl]ethanol |
| InChI | InChI=1S/C14H19N3O/c1-2-3-11-4-6-12(7-5-11)13-10-14(15)17(16-13)8-9-18/h4-7,10,18H,2-3,8-9,15H2,1H3 |
| InChI Key | APLCAUAGRCHQRP-UHFFFAOYSA-N |
| MDL Number | MFCD08444906 |
| Molecular Formula | C14H19N3O |
| Molecular Weight | 245.3202 |
| SMILES | CCCC1=CC=C(C2=NN(CCO)C(N)=C2)C=C1 |
| Synonyms | 2-[5-amino-3-(4-propylphenyl)-1H-pyrazol-1-yl]ethan-1-ol,
956568-66-4,
2-[5-AMINO-3-(4-PROPYLPHENYL)-1H-PYRAZOL-1-YL]ETHANOL,
2-(5-amino-3-(4-propylphenyl)-1H-pyrazol-1-yl)ethanol,
AC1Q2UWP,
CTK6D4833,
ZINC20284702,
AKOS009113761,
MCULE-4472826571,
NE27767,
EN300-43907,
Z228588788,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.326g/mol |
| Monoisotopic Mass | 245.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number