Q7E

(2R)-4-(1H-pyrazol-1-yl)butan-2-ol

Created:2022-06-01
Last modified:  2023-12-20

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count22
Aromatic Bond Count5
2D diagram of Q7E

Chemical Component Summary

Name(2R)-4-(1H-pyrazol-1-yl)butan-2-ol
Systematic Name (OpenEye OEToolkits)(2~{R})-4-pyrazol-1-ylbutan-2-ol
FormulaC7 H12 N2 O
Molecular Weight140.183
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C)CCn1cccn1
SMILESCACTVS3.385C[CH](O)CCn1cccn1
SMILESOpenEye OEToolkits2.0.7CC(CCn1cccn1)O
Canonical SMILESCACTVS3.385 C[C@@H](O)CCn1cccn1
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H](CCn1cccn1)O
InChIInChI1.03 InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3
InChIKeyInChI1.03 JKIATZCBNIISLE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 93982947