1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C20H24Cl2F3N3O2 — CID 24863719

IUPAC1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCOc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2F3N3O2/c1-12-17(22)18(20(23,24)25)26-28(12)11-16(29)19(2)6-8-27(9-7-19)13-4-5-14(21)15(10-13)30-3/h4-5,10,16,29H,6-9,11H2,1-3H3
InChIKeyDWUDTZIVCJBSHJ-UHFFFAOYSA-N
MW466.33 g/mol
LogP5.19
Rot. Bonds5

About 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol

1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 24863719) has the molecular formula C20H24Cl2F3N3O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID24863719
Molecular FormulaC20H24Cl2F3N3O2
Molecular Weight466.33 g/mol
Exact Mass465.12
IUPAC Name1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCOc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2F3N3O2/c1-12-17(22)18(20(23,24)25)26-28(12)11-16(29)19(2)6-8-27(9-7-19)13-4-5-14(21)15(10-13)30-3/h4-5,10,16,29H,6-9,11H2,1-3H3
InChIKeyDWUDTZIVCJBSHJ-UHFFFAOYSA-N
XLogP5.19
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070989
2-[5-(Aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 11236656
2-[4-Chloro-3-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 11351191
1-[4-(4-Chloro-3-ethoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070983
1-[4-(4-Chloro-3-isopropoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070984
2-[4-Chloro-3-(hydroxymethyl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 57840315
1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840363
N-[[4-chloro-2-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyrazol-3-yl]methyl]acetamide
CID 57840380
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 57840427
1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-propan-2-ylpyrazol-1-yl)ethanone
CID 57840435
1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-fluoro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840437
1-[(3R)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840460

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 24863719) is 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is DWUDTZIVCJBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2F3N3O2/c1-12-17(22)18(20(23,24)25)26-28(12)11-16(29)19(2)6-8-27(9-7-19)13-4-5-14(21)15(10-13)30-3/h4-5,10,16,29H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 466.33 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 24863719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).