1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole

C19H20N2O2S — CID 162401921

IUPAC1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(CCCc3ccccc3)cn2)cc1
InChIInChI=1S/C19H20N2O2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(14-20-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyHWEMOWVZFPDKOL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole

1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole (PubChem CID 162401921) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole
PubChem CID162401921
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(CCCc3ccccc3)cn2)cc1
InChIInChI=1S/C19H20N2O2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(14-20-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyHWEMOWVZFPDKOL-UHFFFAOYSA-N
XLogP3.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
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4-iodo-1-tosyl-1H-pyrazole
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3-Methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
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5-(4-Fluorophenyl)-4-iodo-1-(4-methylphenyl)sulfonylpyrazole
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3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole (CID 162401921) is 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole is Cc1ccc(S(=O)(=O)n2cc(CCCc3ccccc3)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole?
The InChIKey is HWEMOWVZFPDKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-16-10-12-19(13-11-16)24(22,23)21-15-18(14-20-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole?
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole has a molecular weight of 340.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole is sourced from PubChem (CID 162401921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).