5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole

C15H20N2O2S — CID 69408175

IUPAC5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H20N2O2S/c1-3-4-5-7-13-11-16-17-15(13)12-8-6-9-14(10-12)20(2,18)19/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyWDOJUZWKAADNDI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.21
Rot. Bonds6

About 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole

5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole (PubChem CID 69408175) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole
PubChem CID69408175
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole
SMILESCCCCCc1cn[nH]c1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H20N2O2S/c1-3-4-5-7-13-11-16-17-15(13)12-8-6-9-14(10-12)20(2,18)19/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyWDOJUZWKAADNDI-UHFFFAOYSA-N
XLogP3.21
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole 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 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole?
The IUPAC name of 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole (CID 69408175) is 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole is CCCCCc1cn[nH]c1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole?
The InChIKey is WDOJUZWKAADNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-4-5-7-13-11-16-17-15(13)12-8-6-9-14(10-12)20(2,18)19/h6,8-11H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole?
5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole has a molecular weight of 292.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-4-pentyl-1H-pyrazole is sourced from PubChem (CID 69408175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).