KWW

1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide

Created:2019-07-02
Last modified:  2020-07-22

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count17
2D diagram of KWW

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Chemical Component Summary

Name1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
FormulaC19 H18 Cl2 N4 O
Molecular Weight389.278
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN
Canonical SMILESCACTVS3.385 NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN
InChIInChI1.03 InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
InChIKeyInChI1.03 SGRJJBWZENVDRI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146676946