0SU

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea

Created:2012-05-24
Last modified:  2013-05-01

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11
2D diagram of 0SU

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Chemical Component Summary

Name1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
Systematic Name (OpenEye OEToolkits)1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(2-hydroxyethyl)urea
FormulaC17 H24 N4 O2
Molecular Weight316.398
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
SMILESCACTVS3.370Cc1ccc(cc1)n2nc(cc2NC(=O)NCCO)C(C)(C)C
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO
Canonical SMILESCACTVS3.370 Cc1ccc(cc1)n2nc(cc2NC(=O)NCCO)C(C)(C)C
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO
InChIInChI1.03 InChI=1S/C17H24N4O2/c1-12-5-7-13(8-6-12)21-15(19-16(23)18-9-10-22)11-14(20-21)17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,23)
InChIKeyInChI1.03 QTPQATQIABNKIE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 71305044