6P0

5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole

Created:2016-05-17
Last modified:  2016-09-07

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count16
2D diagram of 6P0

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Chemical Component Summary

Name5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
Systematic Name (OpenEye OEToolkits)4-[3-[1-(4-methoxyphenyl)cyclopropyl]-1~{H}-pyrazol-5-yl]-1,3-dimethyl-pyrazole
FormulaC18 H20 N4 O
Molecular Weight308.378
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1C(C1)(c3cc(c2cn(nc2C)C)nn3)c4ccc(cc4)OC
SMILESCACTVS3.385COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
SMILESOpenEye OEToolkits2.0.4Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC
Canonical SMILESCACTVS3.385 COc1ccc(cc1)C2(CC2)c3cc([nH]n3)c4cn(C)nc4C
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC
InChIInChI1.03 InChI=1S/C18H20N4O/c1-12-15(11-22(2)21-12)16-10-17(20-19-16)18(8-9-18)13-4-6-14(23-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyInChI1.03 ZLBUFDZQBDNLRH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 121595987