8T4

1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

Created:2017-03-03
Last modified:  2017-03-15

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count16
2D diagram of 8T4

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Chemical Component Summary

Name1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole
Systematic Name (OpenEye OEToolkits)1-methyl-4-phenyl-5-pyrrol-1-yl-pyrazole
FormulaC14 H13 N3
Molecular Weight223.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn3c(n1cccc1)c(c2ccccc2)cn3
SMILESCACTVS3.385Cn1ncc(c2ccccc2)c1n3cccc3
SMILESOpenEye OEToolkits2.0.6Cn1c(c(cn1)c2ccccc2)n3cccc3
Canonical SMILESCACTVS3.385 Cn1ncc(c2ccccc2)c1n3cccc3
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1c(c(cn1)c2ccccc2)n3cccc3
InChIInChI1.03 InChI=1S/C14H13N3/c1-16-14(17-9-5-6-10-17)13(11-15-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyInChI1.03 LIJCBBWNYLIMMZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 124220766