1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine

C16H21N3O2S — CID 110871226

IUPAC1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(CS(=O)(=O)N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C16H21N3O2S/c1-14-3-5-15(6-4-14)13-22(20,21)18-11-7-16(8-12-18)19-10-2-9-17-19/h2-6,9-10,16H,7-8,11-13H2,1H3
InChIKeyXBIFGQRECYEFED-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine

1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine (PubChem CID 110871226) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
PubChem CID110871226
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(CS(=O)(=O)N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C16H21N3O2S/c1-14-3-5-15(6-4-14)13-22(20,21)18-11-7-16(8-12-18)19-10-2-9-17-19/h2-6,9-10,16H,7-8,11-13H2,1H3
InChIKeyXBIFGQRECYEFED-UHFFFAOYSA-N
XLogP2.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-propylsulfonyl-4-pyrazol-1-ylpiperidine
CID 110871195
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
4-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 167753688
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
4-methyl-2-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122269009
4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
CID 110721477
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819072
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
CID 126946494

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine (CID 110871226) is 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine is Cc1ccc(CS(=O)(=O)N2CCC(n3cccn3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine?
The InChIKey is XBIFGQRECYEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-14-3-5-15(6-4-14)13-22(20,21)18-11-7-16(8-12-18)19-10-2-9-17-19/h2-6,9-10,16H,7-8,11-13H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine?
1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 110871226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).