5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole

C24H19FN2S — CID 132839274

IUPAC5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole
SMILESCc1cc(SC(F)=C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19FN2S/c1-18-17-22(27(26-18)21-15-9-4-10-16-21)28-24(25)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyXAIXMNAZIVSLKG-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.66
Rot. Bonds5

About 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole

5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole (PubChem CID 132839274) has the molecular formula C24H19FN2S and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole
PubChem CID132839274
Molecular FormulaC24H19FN2S
Molecular Weight386.50 g/mol
Exact Mass386.13
IUPAC Name5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole
SMILESCc1cc(SC(F)=C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19FN2S/c1-18-17-22(27(26-18)21-15-9-4-10-16-21)28-24(25)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyXAIXMNAZIVSLKG-UHFFFAOYSA-N
XLogP6.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole (CID 132839274) is 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole is Cc1cc(SC(F)=C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole?
The InChIKey is XAIXMNAZIVSLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2S/c1-18-17-22(27(26-18)21-15-9-4-10-16-21)28-24(25)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3.
What are the key properties of 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole?
5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole has a molecular weight of 386.50 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2,2-diphenylethenyl)sulfanyl-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 132839274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).