1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine

C22H23F2N3O2S — CID 53149326

IUPAC1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
SMILESCc1cccc(-n2cc(C3CCN(S(=O)(=O)Cc4cc(F)cc(F)c4)CC3)cn2)c1
InChIInChI=1S/C22H23F2N3O2S/c1-16-3-2-4-22(9-16)27-14-19(13-25-27)18-5-7-26(8-6-18)30(28,29)15-17-10-20(23)12-21(24)11-17/h2-4,9-14,18H,5-8,15H2,1H3
InChIKeyVDAHDDJHSCJZLP-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.17
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine

1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine (PubChem CID 53149326) has the molecular formula C22H23F2N3O2S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
PubChem CID53149326
Molecular FormulaC22H23F2N3O2S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
SMILESCc1cccc(-n2cc(C3CCN(S(=O)(=O)Cc4cc(F)cc(F)c4)CC3)cn2)c1
InChIInChI=1S/C22H23F2N3O2S/c1-16-3-2-4-22(9-16)27-14-19(13-25-27)18-5-7-26(8-6-18)30(28,29)15-17-10-20(23)12-21(24)11-17/h2-4,9-14,18H,5-8,15H2,1H3
InChIKeyVDAHDDJHSCJZLP-UHFFFAOYSA-N
XLogP4.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The IUPAC name of 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine (CID 53149326) is 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine is Cc1cccc(-n2cc(C3CCN(S(=O)(=O)Cc4cc(F)cc(F)c4)CC3)cn2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The InChIKey is VDAHDDJHSCJZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2S/c1-16-3-2-4-22(9-16)27-14-19(13-25-27)18-5-7-26(8-6-18)30(28,29)15-17-10-20(23)12-21(24)11-17/h2-4,9-14,18H,5-8,15H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine has a molecular weight of 431.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methylsulfonyl]-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 53149326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).