4-(2-Aminoethyl)-5-(2-furyl)-1,2-dihydro-3h-pyrazol-3-one - CAS 952959-52-3
Catalog: |
BB054964 |
Product Name: |
4-(2-Aminoethyl)-5-(2-furyl)-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
952959-52-3 |
Synonyms: |
4-(2-AMINOETHYL)-5-(2-FURYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE; 4-(2-Aminoethyl)-5-(furan-2-yl)-1H-pyrazol-3(2H)-one; 4-(2-aminoethyl)-5-(furan-2-yl)-1,2-dihydropyrazol-3-one; 4-(2-aminoethyl)-5-(furan-2-yl)-1,2-dihydro-3H-pyrazol-3-one; 4-(2-aminoethyl)-5-(furan-2-yl)-2,3-dihydro-1H-pyrazol-3-one |
IUPAC Name: | 4-(2-aminoethyl)-5-(furan-2-yl)-1,2-dihydropyrazol-3-one |
Description: | 4-(2-Aminoethyl)-5-(2-furyl)-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 193.2 |
Molecular Formula: | C9H11N3O2 |
Canonical SMILES: | C1=COC(=C1)C2=C(C(=O)NN2)CCN |
InChI: | InChI=1S/C9H11N3O2/c10-4-3-6-8(11-12-9(6)13)7-2-1-5-14-7/h1-2,5H,3-4,10H2,(H2,11,12,13) |
InChI Key: | HTBBBMYUXHGUSH-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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