4-(4-Aminobutyl)-5-cyclohexyl-1,2-dihydro-3h-pyrazol-3-one - CAS 878208-93-6
Catalog: |
BB075054 |
Product Name: |
4-(4-Aminobutyl)-5-cyclohexyl-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
878208-93-6 |
Synonyms: |
4-(4-aminobutyl)-5-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one; 4-(4-aminobutyl)-5-cyclohexyl-1,2-dihydropyrazol-3-one |
IUPAC Name: | 4-(4-aminobutyl)-5-cyclohexyl-1,2-dihydropyrazol-3-one |
Description: | 4-(4-Aminobutyl)-5-cyclohexyl-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 237.34 |
Molecular Formula: | C13H23N3O |
Canonical SMILES: | C1CCC(CC1)C2=C(C(=O)NN2)CCCCN |
InChI: | InChI=1S/C13H23N3O/c14-9-5-4-8-11-12(15-16-13(11)17)10-6-2-1-3-7-10/h10H,1-9,14H2,(H2,15,16,17) |
InChI Key: | RUULXSMDZCONNJ-UHFFFAOYSA-N |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.184112366 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.184112366 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 67.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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