trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C15H18ClN3O — CID 101127194

IUPACtrans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C15H18ClN3O/c16-14-5-3-12(4-6-14)8-15(20)7-1-2-13(15)9-19-11-17-10-18-19/h3-6,10-11,13,20H,1-2,7-9H2/t13-,15+/m1/s1
InChIKeyPEUOGEBCEWWESR-HIFRSBDPSA-N
MW291.78 g/mol
LogP2.71
Rot. Bonds4

About trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 101127194) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID101127194
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Nametrans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C15H18ClN3O/c16-14-5-3-12(4-6-14)8-15(20)7-1-2-13(15)9-19-11-17-10-18-19/h3-6,10-11,13,20H,1-2,7-9H2/t13-,15+/m1/s1
InChIKeyPEUOGEBCEWWESR-HIFRSBDPSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 67648052
(1R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 70245836
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
(1R,2R,5R)-5-[(4-chlorophenyl)methyl]-2-[(Z)-2-chloroprop-1-enyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 140595007
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
methyl 3-[(4-chlorophenyl)methyl]-2-hydroxy-1-methyl-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 164873702
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-1-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-ol
CID 19042353
tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane
CID 13474657
trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 175832998
5-[(4-chlorophenyl)methyl]-3-propan-2-yl-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 134080586
(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-2-[(4-hydroxycyclohexyl)amino]propan-1-one
CID 87840468
(2R)-2-(1-aminocyclohexyl)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 154484475

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CID 101127194) is trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is O[C@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1cncn1.
What is the InChIKey of trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is PEUOGEBCEWWESR-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-14-5-3-12(4-6-14)8-15(20)7-1-2-13(15)9-19-11-17-10-18-19/h3-6,10-11,13,20H,1-2,7-9H2/t13-,15+/m1/s1.
What are the key properties of trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 101127194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).