5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C19H24ClN3O — CID 54225475

IUPAC5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESCCC1(CC)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C19H24ClN3O/c1-3-18(4-2)10-9-16(11-15-5-7-17(20)8-6-15)19(18,24)12-23-14-21-13-22-23/h5-8,11,13-14,24H,3-4,9-10,12H2,1-2H3
InChIKeyQFNRYPPHHBOZKH-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.35
Rot. Bonds5

About 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 54225475) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID54225475
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESCCC1(CC)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C19H24ClN3O/c1-3-18(4-2)10-9-16(11-15-5-7-17(20)8-6-15)19(18,24)12-23-14-21-13-22-23/h5-8,11,13-14,24H,3-4,9-10,12H2,1-2H3
InChIKeyQFNRYPPHHBOZKH-UHFFFAOYSA-N
XLogP4.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 67716440
cis-(1R,2E,6R)-2-[(4-chlorophenyl)methylidene]-6-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
CID 6546226
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-1-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-ol
CID 19042353
6-[(4-fluorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
CID 54267595
2-[(4-chlorophenyl)methylidene]-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentane-1,3-diol
CID 165363600
(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
CID 15186395
CID 70665658
CID 70665658
(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 68554310
2-[[(5Z)-5-[(4-chlorophenyl)methylidene]-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1H-1,2,4-triazole-3-thione
CID 10959031
(1R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 70245836
1-[2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentyl]-1,2,4-triazole
CID 54244225
1-[[2-(4-chlorophenyl)-4,4-dimethyloxolan-2-yl]methyl]-1,2,4-triazole
CID 13235855

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CID 54225475) is 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is CCC1(CC)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is QFNRYPPHHBOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-18(4-2)10-9-16(11-15-5-7-17(20)8-6-15)19(18,24)12-23-14-21-13-22-23/h5-8,11,13-14,24H,3-4,9-10,12H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 345.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 54225475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).