4-(3-Aminopropyl)-5-(4-pyridinyl)-1,2-dihydro-3h-pyrazol-3-one - CAS 878208-88-9
Catalog: |
BB061424 |
Product Name: |
4-(3-Aminopropyl)-5-(4-pyridinyl)-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
878208-88-9 |
Synonyms: |
4-(3-AMINOPROPYL)-5-(4-PYRIDINYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE; 4-(3-aminopropyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one; 4-(3-aminopropyl)-5-(pyridin-4-yl)-1,2-dihydro-3H-pyrazol-3-one |
IUPAC Name: | 4-(3-aminopropyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one |
Description: | 4-(3-Aminopropyl)-5-(4-pyridinyl)-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 218.26 |
Molecular Formula: | C11H14N4O |
Canonical SMILES: | C1=CN=CC=C1C2=C(C(=O)NN2)CCCN |
InChI: | InChI=1S/C11H14N4O/c12-5-1-2-9-10(14-15-11(9)16)8-3-6-13-7-4-8/h3-4,6-7H,1-2,5,12H2,(H2,14,15,16) |
InChI Key: | CMFJPXZFJOUCSM-UHFFFAOYSA-N |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.11676108 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.11676108 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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