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

C97H95F9N10 — CID 160848110

IUPAC5-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;bis(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(-c2ccc(CCc3c(F)cccc3F)cc2)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.C20H21FN2.2C19H18F2N2.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;2*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;2*3-7,9-10,12H,8,11H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeySIXGBSMBRMRWNM-UHFFFAOYSA-N
MW1571.88 g/mol
LogP22.77
Rot. Bonds20

About 5-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;bis(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;bis(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 160848110) has the molecular formula C97H95F9N10 and a molecular weight of 1571.88 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;bis(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;bis(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 CID160848110
Molecular FormulaC97H95F9N10
Molecular Weight1571.88 g/mol
Exact Mass1570.76
IUPAC Name5-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;bis(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(-c2ccc(CCc3c(F)cccc3F)cc2)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.C20H21FN2.2C19H18F2N2.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;2*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;2*3-7,9-10,12H,8,11H2,1-2H3;3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeySIXGBSMBRMRWNM-UHFFFAOYSA-N
XLogP22.77
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001571.88
LogP ≤ 522.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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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
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CID 160792015
1,2-Bis(3,5-dimethylpyrazol-1-yl)-anti-[2.2]paracyclonaphthane
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CID 139189232
CID 139189232
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1,1',1''-(Benzene-1,3,5-triyl)tris(4-fluoro-3,5-diphenyl-1H-pyrazole)
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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;bis(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;bis(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 160848110) is 5-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;bis(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;bis(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;bis(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(-c2ccc(CCc3c(F)cccc3F)cc2)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;bis(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 SIXGBSMBRMRWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2.C20H21FN2.2C19H18F2N2.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;2*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;2*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;bis(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;bis(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 1571.88 g/mol, XLogP of 22.77, 20 rotatable bonds, 0 hydrogen bond donors, and 10 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;bis(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 160848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).