1WC

4-(2-chlorophenyl)-5-methyl-1H-pyrazole

Created:2014-02-24
Last modified:  2014-04-02

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count11
2D diagram of 1WC

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Chemical Component Summary

Name4-(2-chlorophenyl)-5-methyl-1H-pyrazole
Systematic Name (OpenEye OEToolkits)4-(2-chlorophenyl)-5-methyl-1H-pyrazole
FormulaC10 H9 Cl N2
Molecular Weight192.645
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1c2c(nnc2)C
SMILESCACTVS3.370Cc1[nH]ncc1c2ccccc2Cl
SMILESOpenEye OEToolkits1.7.6Cc1c(cn[nH]1)c2ccccc2Cl
Canonical SMILESCACTVS3.370 Cc1[nH]ncc1c2ccccc2Cl
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(cn[nH]1)c2ccccc2Cl
InChIInChI1.03 InChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)
InChIKeyInChI1.03 COMPGPWYKZNXNH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2805460
ChEMBL CHEMBL1400949