5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

C21H18N2O3S — CID 135066239

IUPAC5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c(C)c2-c2ccco2)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-21(19-9-6-14-26-19)16(2)20(22-23)17-7-4-3-5-8-17/h3-14H,1-2H3
InChIKeyTYWJCYFJVSHYJF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.66
Rot. Bonds4

About 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (PubChem CID 135066239) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
PubChem CID135066239
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c(C)c2-c2ccco2)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-21(19-9-6-14-26-19)16(2)20(22-23)17-7-4-3-5-8-17/h3-14H,1-2H3
InChIKeyTYWJCYFJVSHYJF-UHFFFAOYSA-N
XLogP4.66
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The IUPAC name of 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (CID 135066239) is 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c(C)c2-c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The InChIKey is TYWJCYFJVSHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-21(19-9-6-14-26-19)16(2)20(22-23)17-7-4-3-5-8-17/h3-14H,1-2H3.
What are the key properties of 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole has a molecular weight of 378.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is sourced from PubChem (CID 135066239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).