1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone

C23H24ClN3O2 — CID 70692165

IUPAC1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-n1nc(C2CCN(C(C)=O)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c1-16(28)26-13-11-17(12-14-26)20-15-22(18-7-9-19(24)10-8-18)27(25-20)21-5-3-4-6-23(21)29-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyYRVIZZBXORVSJK-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone

1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70692165) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70692165
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-n1nc(C2CCN(C(C)=O)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c1-16(28)26-13-11-17(12-14-26)20-15-22(18-7-9-19(24)10-8-18)27(25-20)21-5-3-4-6-23(21)29-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyYRVIZZBXORVSJK-UHFFFAOYSA-N
XLogP4.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone (CID 70692165) is 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone is COc1ccccc1-n1nc(C2CCN(C(C)=O)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is YRVIZZBXORVSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-16(28)26-13-11-17(12-14-26)20-15-22(18-7-9-19(24)10-8-18)27(25-20)21-5-3-4-6-23(21)29-2/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 409.92 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70692165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).