| CAS Number | 1247943-03-8 |
| Catalog Number | AG01ADPV |
| Chemical Name | 2-(3-Amino-5-methyl-1H-pyrazol-1-yl)ethan-1-ol |
| IUPAC Name | 2-(3-amino-5-methylpyrazol-1-yl)ethanol |
| InChI | InChI=1S/C6H11N3O/c1-5-4-6(7)8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H2,7,8) |
| InChI Key | HNXBOMGYFGWFGD-UHFFFAOYSA-N |
| MDL Number | MFCD16845336 |
| Molecular Formula | C6H11N3O |
| Molecular Weight | 141.1710 |
| SMILES | OCCN1N=C(N)C=C1C |
| Synonyms | 2-(3-amino-5-methyl-1H-pyrazol-1-yl)ethanol,
1247943-03-8,
2-(3-amino-5-methyl-1H-pyrazol-1-yl)ethan-1-ol,
SCHEMBL2428069,
HNXBOMGYFGWFGD-UHFFFAOYSA-N,
ZINC54404722,
AKOS011972889,
N/A,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.174g/mol |
| Monoisotopic Mass | 141.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number