4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole

C12H9F3N2O2S — CID 174327817

IUPAC4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(CC(F)=Cc1ccc(F)cc1)c1[nH]ncc1F
InChIInChI=1S/C12H9F3N2O2S/c13-9-3-1-8(2-4-9)5-10(14)7-20(18,19)12-11(15)6-16-17-12/h1-6H,7H2,(H,16,17)
InChIKeyXPOKHEDHTFUXFY-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.47
Rot. Bonds4

About 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole

4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole (PubChem CID 174327817) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
PubChem CID174327817
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(CC(F)=Cc1ccc(F)cc1)c1[nH]ncc1F
InChIInChI=1S/C12H9F3N2O2S/c13-9-3-1-8(2-4-9)5-10(14)7-20(18,19)12-11(15)6-16-17-12/h1-6H,7H2,(H,16,17)
InChIKeyXPOKHEDHTFUXFY-UHFFFAOYSA-N
XLogP2.47
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenyl-1H-pyrazol-5-yl)sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640852
2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640977
Tosylpyrazole
CID 67152748
4-phenyl-5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 12890650
5-(difluoromethylsulfanyl)-4-phenyl-1H-pyrazole
CID 178250882
5-(benzenesulfonyl)-1H-pyrazole
CID 15880398
5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 67796063
5-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole
CID 89654381
5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazole
CID 89654556
5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole
CID 139624527
5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole
CID 139624534
4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
CID 142633209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The IUPAC name of 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole (CID 174327817) is 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole is O=S(=O)(CC(F)=Cc1ccc(F)cc1)c1[nH]ncc1F.
What is the InChIKey of 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
The InChIKey is XPOKHEDHTFUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-9-3-1-8(2-4-9)5-10(14)7-20(18,19)12-11(15)6-16-17-12/h1-6H,7H2,(H,16,17).
What are the key properties of 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole?
4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole has a molecular weight of 302.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 174327817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).