4-(2-Aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydro-3h-pyrazol-3-one - CAS 910443-42-4
Catalog: |
BB074841 |
Product Name: |
4-(2-Aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
910443-42-4 |
Synonyms: |
4-(2-aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydro-3H-pyrazol-3-one; 4-(2-aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydropyrazol-3-one; 4-(2-Aminoethyl)-5-(2-methoxyphenyl)-1H-pyrazol-3(2H)-one |
IUPAC Name: | 4-(2-aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydropyrazol-3-one |
Description: | 4-(2-Aminoethyl)-5-(2-methoxyphenyl)-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 233.27 |
Molecular Formula: | C12H15N3O2 |
Canonical SMILES: | COC1=CC=CC=C1C2=C(C(=O)NN2)CCN |
InChI: | InChI=1S/C12H15N3O2/c1-17-10-5-3-2-4-8(10)11-9(6-7-13)12(16)15-14-11/h2-5H,6-7,13H2,1H3,(H2,14,15,16) |
InChI Key: | SXLUVFBCBBMBRO-UHFFFAOYSA-N |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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