4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine

C25H31N3O4S — CID 70685864

IUPAC4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H31N3O4S/c1-18(2)32-21-11-9-20(10-12-21)24-17-22(19-13-15-27(16-14-19)33(4,29)30)26-28(24)23-7-5-6-8-25(23)31-3/h5-12,17-19H,13-16H2,1-4H3
InChIKeyZERBUZZMSGYYMB-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.47
Rot. Bonds7

About 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine

4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine (PubChem CID 70685864) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
PubChem CID70685864
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H31N3O4S/c1-18(2)32-21-11-9-20(10-12-21)24-17-22(19-13-15-27(16-14-19)33(4,29)30)26-28(24)23-7-5-6-8-25(23)31-3/h5-12,17-19H,13-16H2,1-4H3
InChIKeyZERBUZZMSGYYMB-UHFFFAOYSA-N
XLogP4.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine (CID 70685864) is 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine is COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The InChIKey is ZERBUZZMSGYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-18(2)32-21-11-9-20(10-12-21)24-17-22(19-13-15-27(16-14-19)33(4,29)30)26-28(24)23-7-5-6-8-25(23)31-3/h5-12,17-19H,13-16H2,1-4H3.
What are the key properties of 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine has a molecular weight of 469.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 70685864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).