GZP
1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL
Created: | 2015-03-08 |
Last modified: | 2015-05-13 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
---|---|
Name | 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL |
Systematic Name (OpenEye OEToolkits) | 1-(5-phenyl-1H-pyrazol-3-yl)cyclopentan-1-ol |
Formula | C14 H16 N2 O |
Molecular Weight | 228.29 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC1(CCCC1)c2cc([nH]n2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O |
Canonical SMILES | CACTVS | 3.385 | OC1(CCCC1)c2cc([nH]n2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | GKHXBOMLCZWNOE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 91754982 |