1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine

C18H25N3O3S — CID 72548145

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine
SMILESCOC(c1ccccc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H25N3O3S/c1-13-18(14(2)20-19-13)25(22,23)21-11-9-16(10-12-21)17(24-3)15-7-5-4-6-8-15/h4-8,16-17H,9-12H2,1-3H3,(H,19,20)
InChIKeyFINZWOFOVHLTQE-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.81
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine (PubChem CID 72548145) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine
PubChem CID72548145
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine
SMILESCOC(c1ccccc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H25N3O3S/c1-13-18(14(2)20-19-13)25(22,23)21-11-9-16(10-12-21)17(24-3)15-7-5-4-6-8-15/h4-8,16-17H,9-12H2,1-3H3,(H,19,20)
InChIKeyFINZWOFOVHLTQE-UHFFFAOYSA-N
XLogP2.81
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]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-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine (CID 72548145) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine is COC(c1ccccc1)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine?
The InChIKey is FINZWOFOVHLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13-18(14(2)20-19-13)25(22,23)21-11-9-16(10-12-21)17(24-3)15-7-5-4-6-8-15/h4-8,16-17H,9-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine has a molecular weight of 363.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[methoxy(phenyl)methyl]piperidine is sourced from PubChem (CID 72548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).