IRU

1~{H}-pyrazol-5-ylmethanol

Created:2022-04-11
Last modified:  2023-01-25

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count5
2D diagram of IRU

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Chemical Component Summary

Name1~{H}-pyrazol-5-ylmethanol
Systematic Name (OpenEye OEToolkits)1~{H}-pyrazol-5-ylmethanol
FormulaC4 H6 N2 O
Molecular Weight98.103
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OCc1[nH]ncc1
SMILESOpenEye OEToolkits2.0.7c1cn[nH]c1CO
Canonical SMILESCACTVS3.385 OCc1[nH]ncc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cn[nH]c1CO
InChIInChI1.06 InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
InChIKeyInChI1.06 UIEABCXJWANXFS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4913243
ChEMBL CHEMBL3275945