5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole

C16H14F2N2O2S — CID 10172108

IUPAC5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C16H14F2N2O2S/c1-23(21,22)20-16(11-5-3-2-4-6-11)10-15(19-20)13-9-12(17)7-8-14(13)18/h2-9,16H,10H2,1H3
InChIKeyRVTHWKPOARYEQF-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.08
Rot. Bonds3

About 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole

5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole (PubChem CID 10172108) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole
PubChem CID10172108
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C16H14F2N2O2S/c1-23(21,22)20-16(11-5-3-2-4-6-11)10-15(19-20)13-9-12(17)7-8-14(13)18/h2-9,16H,10H2,1H3
InChIKeyRVTHWKPOARYEQF-UHFFFAOYSA-N
XLogP3.08
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole (CID 10172108) is 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole?
The InChIKey is RVTHWKPOARYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-23(21,22)20-16(11-5-3-2-4-6-11)10-15(19-20)13-9-12(17)7-8-14(13)18/h2-9,16H,10H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole?
5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole has a molecular weight of 336.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-2-methylsulfonyl-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 10172108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).