4-(3-Aminopropyl)-5-phenyl-1,2-dihydro-3h-pyrazol-3-one - CAS 214839-85-7
Catalog: |
BB061426 |
Product Name: |
4-(3-Aminopropyl)-5-phenyl-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
214839-85-7 |
Synonyms: |
4- (3- Aminopropyl) - 1, 2- dihydro- 5- phenyl-3H- pyrazol- 3- one |
IUPAC Name: | 4-(3-aminopropyl)-5-phenyl-1,2-dihydropyrazol-3-one |
Description: | 4-(3-Aminopropyl)-5-phenyl-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 217.27 |
Molecular Formula: | C12H15N3O |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C(=O)NN2)CCCN |
InChI: | InChI=1S/C12H15N3O/c13-8-4-7-10-11(14-15-12(10)16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,13H2,(H2,14,15,16) |
InChI Key: | ZAVHCMQHEROZAS-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.12151211 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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