1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine

C21H23N3O2S — CID 42349000

IUPAC1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2S/c1-17-12-14-23(15-13-17)27(25,26)20-16-24(19-10-6-3-7-11-19)22-21(20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3
InChIKeyBVCKDVFYPIYEKR-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.96
Rot. Bonds4

About 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine

1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine (PubChem CID 42349000) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
PubChem CID42349000
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2S/c1-17-12-14-23(15-13-17)27(25,26)20-16-24(19-10-6-3-7-11-19)22-21(20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3
InChIKeyBVCKDVFYPIYEKR-UHFFFAOYSA-N
XLogP3.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine 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

1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 42285593
(5Z)-2-(4-methylpiperidin-1-yl)-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 18806587
(5Z)-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6193166
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
(5Z)-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18806571

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine (CID 42349000) is 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The InChIKey is BVCKDVFYPIYEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-17-12-14-23(15-13-17)27(25,26)20-16-24(19-10-6-3-7-11-19)22-21(20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine has a molecular weight of 381.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 42349000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).