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

C116H110F14N12 — CID 158064240

IUPAC5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)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(CCc3c(F)cccc3F)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3F)cc2)n(C)n1.Cc1ccc(CCc2cc(F)c(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)cc2)c(F)c1
InChIInChI=1S/C20H19F3N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H18F2N2.C19H19FN2/c1-12-4-6-15(16(21)8-12)7-5-14-10-17(22)20(18(23)11-14)19-9-13(2)24-25(19)3;1-14-4-8-17(19(21)12-14)9-5-16-6-10-18(11-7-16)20-13-15(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;1-13-12-19(23(2)22-13)15-9-6-14(7-10-15)8-11-16-17(20)4-3-5-18(16)21;1-14-13-19(22(2)21-14)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)20/h4,6,8-11H,5,7H2,1-3H3;4,6-8,10-13H,5,9H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-7,9-10,12H,8,11H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyFLAJPZSIFWOJJL-UHFFFAOYSA-N
MW1938.21 g/mol
LogP27.65
Rot. Bonds24

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

5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole (PubChem CID 158064240) has the molecular formula C116H110F14N12 and a molecular weight of 1938.21 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole
PubChem CID158064240
Molecular FormulaC116H110F14N12
Molecular Weight1938.21 g/mol
Exact Mass1936.88
IUPAC Name5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)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(CCc3c(F)cccc3F)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3F)cc2)n(C)n1.Cc1ccc(CCc2cc(F)c(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)cc2)c(F)c1
InChIInChI=1S/C20H19F3N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H18F2N2.C19H19FN2/c1-12-4-6-15(16(21)8-12)7-5-14-10-17(22)20(18(23)11-14)19-9-13(2)24-25(19)3;1-14-4-8-17(19(21)12-14)9-5-16-6-10-18(11-7-16)20-13-15(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;1-13-12-19(23(2)22-13)15-9-6-14(7-10-15)8-11-16-17(20)4-3-5-18(16)21;1-14-13-19(22(2)21-14)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)20/h4,6,8-11H,5,7H2,1-3H3;4,6-8,10-13H,5,9H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-7,9-10,12H,8,11H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyFLAJPZSIFWOJJL-UHFFFAOYSA-N
XLogP27.65
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.21
LogP ≤ 527.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1,1',1''-Methanetriyltris(3,5-diphenyl-1H-pyrazole)
CID 22472428
1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane
CID 159032686
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide
CID 160676307
1,2-ditert-butylbenzene;tris(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;bis(1,2-ditert-butyl-4-(trifluoromethyl)benzene);2,2,3,4-tetramethylpentane;2,2,4,4-tetramethylpentane
CID 160792015
1,2-Bis(3,5-dimethylpyrazol-1-yl)-anti-[2.2]paracyclonaphthane
CID 139067176
Bis(3-anthracen-9-yl-1-[[4-[(5-anthracen-9-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole);benzene
CID 139147019
1-[[3,5-Bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole
CID 139178181
CID 139189232
CID 139189232
1,2,3,4,5,6-Hexakis((3,5-dimethyl-1h-pyrazol-1-yl)methyl) benzene
CID 164577068
Dizinc;5-[10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diid-5-yl]-10,20-diphenyl-15-[4-(trifluoromethyl)phenyl]porphyrin-22,24-diide
CID 22835652
1,1',1''-(Benzene-1,3,5-triyl)tris(4-fluoro-3,5-diphenyl-1H-pyrazole)
CID 71407068
33,36-Dimethyl-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,28(31),29-heptadecaene
CID 101763040

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole (CID 158064240) is 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)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(CCc3c(F)cccc3F)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3F)cc2)n(C)n1.Cc1ccc(CCc2cc(F)c(-c3cc(C)nn3C)c(F)c2)c(F)c1.Cc1ccc(CCc2ccc(-c3cc(C)nn3C)cc2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
The InChIKey is FLAJPZSIFWOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2.C20H21FN2.C19H16F4N2.C19H17F3N2.C19H18F2N2.C19H19FN2/c1-12-4-6-15(16(21)8-12)7-5-14-10-17(22)20(18(23)11-14)19-9-13(2)24-25(19)3;1-14-4-8-17(19(21)12-14)9-5-16-6-10-18(11-7-16)20-13-15(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;1-13-12-19(23(2)22-13)15-9-6-14(7-10-15)8-11-16-17(20)4-3-5-18(16)21;1-14-13-19(22(2)21-14)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)20/h4,6,8-11H,5,7H2,1-3H3;4,6-8,10-13H,5,9H2,1-3H3;3-5,8-10H,6-7H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-7,9-10,12H,8,11H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3.
What are the key properties of 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?
5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole has a molecular weight of 1938.21 g/mol, XLogP of 27.65, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[2-(2-fluoro-4-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;5-[4-[2-(2,6-difluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 158064240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).