5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole

C97H94F11N11 — CID 159548253

IUPAC5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole
SMILESCc1cc(-c2c(F)cc(CCc3c(F)cccc3F)cc2F)n(C)n1.Cc1cc(-c2c(F)cc(CCc3ccccc3F)cc2F)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3C)cc2F)n(C)n1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1cncc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c1
InChIInChI=1S/C20H20F2N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H20FN3/c1-13-4-7-16(18(21)10-13)8-5-15-6-9-17(19(22)12-15)20-11-14(2)23-24(20)3;1-14-6-4-5-7-17(14)10-8-16-9-11-18(19(21)13-16)20-12-15(2)22-23(20)3;1-11-8-18(25(2)24-11)19-16(22)9-12(10-17(19)23)6-7-13-14(20)4-3-5-15(13)21;1-12-9-18(24(2)23-12)19-16(21)10-13(11-17(19)22)7-8-14-5-3-4-6-15(14)20;1-13-8-16(12-21-11-13)5-4-15-6-7-17(18(20)10-15)19-9-14(2)22-23(19)3/h4,6-7,9-12H,5,8H2,1-3H3;4-7,9,11-13H,8,10H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;6-12H,4-5H2,1-3H3
InChIKeyMFBLEVOQXAAGPU-UHFFFAOYSA-N
MW1622.87 g/mol
LogP22.75
Rot. Bonds20

About 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole

5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole (PubChem CID 159548253) has the molecular formula C97H94F11N11 and a molecular weight of 1622.87 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole
PubChem CID159548253
Molecular FormulaC97H94F11N11
Molecular Weight1622.87 g/mol
Exact Mass1621.75
IUPAC Name5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole
SMILESCc1cc(-c2c(F)cc(CCc3c(F)cccc3F)cc2F)n(C)n1.Cc1cc(-c2c(F)cc(CCc3ccccc3F)cc2F)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3C)cc2F)n(C)n1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1cncc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c1
InChIInChI=1S/C20H20F2N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H20FN3/c1-13-4-7-16(18(21)10-13)8-5-15-6-9-17(19(22)12-15)20-11-14(2)23-24(20)3;1-14-6-4-5-7-17(14)10-8-16-9-11-18(19(21)13-16)20-12-15(2)22-23(20)3;1-11-8-18(25(2)24-11)19-16(22)9-12(10-17(19)23)6-7-13-14(20)4-3-5-15(13)21;1-12-9-18(24(2)23-12)19-16(21)10-13(11-17(19)22)7-8-14-5-3-4-6-15(14)20;1-13-8-16(12-21-11-13)5-4-15-6-7-17(18(20)10-15)19-9-14(2)22-23(19)3/h4,6-7,9-12H,5,8H2,1-3H3;4-7,9,11-13H,8,10H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;6-12H,4-5H2,1-3H3
InChIKeyMFBLEVOQXAAGPU-UHFFFAOYSA-N
XLogP22.75
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001622.87
LogP ≤ 522.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole with MolForge

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Related Compounds

3-[2-[2-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-4-[3-[2-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]pyridin-4-yl]pyridine
CID 58947635
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline
CID 59012301
copper;bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);copper(1+);N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59012305
3-[2-(5-Methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
CID 71076223
3,4-Bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine
CID 135249455
8-Tert-butyl-6-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-methylpropyl]-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 139382588
3,4-Bis[1-(2,4-difluorophenyl)pyrazol-3-yl]-2-phenylpyridine
CID 140617931
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454
5,10,15,20-Tetrakis[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]-21,23-dihydroporphyrin
CID 142756942
2-[2-[[3,5-Difluoro-2-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)phenyl]methyl]-4,6-difluorophenyl]-1-methylpyrazolo[1,5-a]pyridin-1-ium
CID 145662884
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
CID 157201160
3-(3-tert-butyl-2-methylphenyl)-1-(2,2-difluoropropyl)pyrazole;3-(3-tert-butyl-2-methylphenyl)-1-(2,2-dimethylpropyl)pyrazole;5-(3-tert-butyl-2-methylphenyl)-1-methyl-4H-pyrazol-1-ium;3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
CID 157218474

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole (CID 159548253) is 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole is Cc1cc(-c2c(F)cc(CCc3c(F)cccc3F)cc2F)n(C)n1.Cc1cc(-c2c(F)cc(CCc3ccccc3F)cc2F)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3C)cc2F)n(C)n1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1cncc(CCc2ccc(-c3cc(C)nn3C)c(F)c2)c1.
What is the InChIKey of 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The InChIKey is MFBLEVOQXAAGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H20FN3/c1-13-4-7-16(18(21)10-13)8-5-15-6-9-17(19(22)12-15)20-11-14(2)23-24(20)3;1-14-6-4-5-7-17(14)10-8-16-9-11-18(19(21)13-16)20-12-15(2)22-23(20)3;1-11-8-18(25(2)24-11)19-16(22)9-12(10-17(19)23)6-7-13-14(20)4-3-5-15(13)21;1-12-9-18(24(2)23-12)19-16(21)10-13(11-17(19)22)7-8-14-5-3-4-6-15(14)20;1-13-8-16(12-21-11-13)5-4-15-6-7-17(18(20)10-15)19-9-14(2)22-23(19)3/h4,6-7,9-12H,5,8H2,1-3H3;4-7,9,11-13H,8,10H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;6-12H,4-5H2,1-3H3.
What are the key properties of 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole has a molecular weight of 1622.87 g/mol, XLogP of 22.75, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 159548253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).