GZP

1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL

Created: 2015-03-08
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count35
Aromatic Bond Count11
2D diagram of GZP

Chemical Component Summary

Name1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL
Systematic Name (OpenEye OEToolkits)1-(5-phenyl-1H-pyrazol-3-yl)cyclopentan-1-ol
FormulaC14 H16 N2 O
Molecular Weight228.29
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC1(CCCC1)c2cc([nH]n2)c3ccccc3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O
Canonical SMILESCACTVS3.385 OC1(CCCC1)c2cc([nH]n2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O
InChIInChI1.03 InChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)
InChIKeyInChI1.03 GKHXBOMLCZWNOE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 91754982