3DI

3-(1~{H}-pyrazol-5-yl)aniline

Created:2021-06-24
Last modified:  2022-05-25

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of 3DI

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Chemical Component Summary

Name3-(1~{H}-pyrazol-5-yl)aniline
Synonyms3-(1H-pyrazol-5yl)aniline
Systematic Name (OpenEye OEToolkits)3-(1~{H}-pyrazol-5-yl)aniline
FormulaC9 H9 N3
Molecular Weight159.188
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1cccc(c1)c2[nH]ncc2
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)N)c2ccn[nH]2
Canonical SMILESCACTVS3.385 Nc1cccc(c1)c2[nH]ncc2
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(cc(c1)N)c2ccn[nH]2
InChIInChI1.03 InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
InChIKeyInChI1.03 SXPNWQIDNWGAEB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2735398