77X

1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

Created: 2016-09-12
Last modified:  2016-10-12

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count11
2D diagram of 77X

Chemical Component Summary

Name1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
Systematic Name (OpenEye OEToolkits)1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
FormulaC15 H17 N3 O
Molecular Weight255.315
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCC(=O)N1CCc2[nH]nc(c2C1)c3ccccc3
SMILESOpenEye OEToolkits2.0.5CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1
Canonical SMILESCACTVS3.385 CCC(=O)N1CCc2[nH]nc(c2C1)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.5 CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1
InChIInChI1.03 InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
InChIKeyInChI1.03 DVIQMCGALYMKFG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7694334
ChEMBL CHEMBL3959972