4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine

C24H28ClN3O3S — CID 70687991

IUPAC4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O3S/c1-17(2)32(29,30)27-14-12-18(13-15-27)21-16-23(19-8-10-20(25)11-9-19)28(26-21)22-6-4-5-7-24(22)31-3/h4-11,16-18H,12-15H2,1-3H3
InChIKeyWJJMGPKQDIPDDJ-UHFFFAOYSA-N
MW474.03 g/mol
LogP5.12
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine

4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine (PubChem CID 70687991) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine
PubChem CID70687991
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O3S/c1-17(2)32(29,30)27-14-12-18(13-15-27)21-16-23(19-8-10-20(25)11-9-19)28(26-21)22-6-4-5-7-24(22)31-3/h4-11,16-18H,12-15H2,1-3H3
InChIKeyWJJMGPKQDIPDDJ-UHFFFAOYSA-N
XLogP5.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.03
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine (CID 70687991) is 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine is COc1ccccc1-n1nc(C2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine?
The InChIKey is WJJMGPKQDIPDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-17(2)32(29,30)27-14-12-18(13-15-27)21-16-23(19-8-10-20(25)11-9-19)28(26-21)22-6-4-5-7-24(22)31-3/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine?
4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine has a molecular weight of 474.03 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 70687991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).