1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C20H24Cl2F3N3O2 — CID 24863720

IUPAC1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCOc1cc(N2CCC(C(O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2F3N3O2/c1-11-17(22)19(20(23,24)25)26-28(11)12(2)18(29)13-6-8-27(9-7-13)14-4-5-15(21)16(10-14)30-3/h4-5,10,12-13,18,29H,6-9H2,1-3H3
InChIKeyNCNUHHIURIQBGF-UHFFFAOYSA-N
MW466.33 g/mol
LogP5.36
Rot. Bonds5

About 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 24863720) has the molecular formula C20H24Cl2F3N3O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID24863720
Molecular FormulaC20H24Cl2F3N3O2
Molecular Weight466.33 g/mol
Exact Mass465.12
IUPAC Name1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCOc1cc(N2CCC(C(O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2F3N3O2/c1-11-17(22)19(20(23,24)25)26-28(11)12(2)18(29)13-6-8-27(9-7-13)14-4-5-15(21)16(10-14)30-3/h4-5,10,12-13,18,29H,6-9H2,1-3H3
InChIKeyNCNUHHIURIQBGF-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 24863720) is 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is COc1cc(N2CCC(C(O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is NCNUHHIURIQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2F3N3O2/c1-11-17(22)19(20(23,24)25)26-28(11)12(2)18(29)13-6-8-27(9-7-13)14-4-5-15(21)16(10-14)30-3/h4-5,10,12-13,18,29H,6-9H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 466.33 g/mol, XLogP of 5.36, 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)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 24863720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).