V60

~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide

Created:2023-02-22
Last modified:  2024-01-10

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count5
2D diagram of V60

Chemical Component Summary

Name~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
FormulaC8 H13 N3 O
Molecular Weight167.208
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)CNC(=O)c1cc[nH]n1
SMILESOpenEye OEToolkits2.0.7CC(C)CNC(=O)c1cc[nH]n1
Canonical SMILESCACTVS3.385 CC(C)CNC(=O)c1cc[nH]n1
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)CNC(=O)c1cc[nH]n1
InChIInChI1.06 InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyInChI1.06 GXCQKWVJCHWJQZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53017403