4-(2-Aminoethyl)-5-methylpyrazol-3(2H)-one - CAS 214839-73-3
Catalog: |
BB016904 |
Product Name: |
4-(2-Aminoethyl)-5-methylpyrazol-3(2H)-one |
CAS: |
214839-73-3 |
Synonyms: |
4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one; 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one |
IUPAC Name: | 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one |
Description: | 4-(2-Aminoethyl)-5-methylpyrazol-3(2H)-one (CAS# 214839-73-3) is a useful research chemical. |
Molecular Weight: | 141.17 |
Molecular Formula: | C6H11N3O |
Canonical SMILES: | CC1=C(C(=O)NN1)CCN |
InChI: | InChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10) |
InChI Key: | GTTHJSHNPZUIAV-UHFFFAOYSA-N |
LogP: | 0.62520 |
Publication Number | Title | Priority Date |
EP-2712863-B1 | Novel inhibitors of bacterial biofilms and related methods | 20120928 |
US-2013274256-A1 | Novel inhibitors of bacterial biofilms and related methods | 20110722 |
JP-H10287655-A | Pyrazole derivatives | 19970410 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.090211983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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