833

3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine

Created:2010-09-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count29
Aromatic Bond Count12
2D diagram of 833

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Chemical Component Summary

Name3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
Systematic Name (OpenEye OEToolkits)5-(1,3-benzodioxol-5-yl)-2-methyl-pyrazol-3-amine
FormulaC11 H11 N3 O2
Molecular Weight217.224
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O1c2ccc(cc2OC1)c3nn(c(N)c3)C
SMILESCACTVS3.370Cn1nc(cc1N)c2ccc3OCOc3c2
SMILESOpenEye OEToolkits1.7.0Cn1c(cc(n1)c2ccc3c(c2)OCO3)N
Canonical SMILESCACTVS3.370 Cn1nc(cc1N)c2ccc3OCOc3c2
Canonical SMILESOpenEye OEToolkits1.7.0 Cn1c(cc(n1)c2ccc3c(c2)OCO3)N
InChIInChI1.03 InChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3
InChIKeyInChI1.03 AHTNDUQVQKCVGH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 43158870