4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane

C135H144Cl11F7N22 — CID 158368975

IUPAC4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
SMILESC=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.C=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.CC.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn[nH]c1.CC(C)c1cc(Cl)ccc1-c1cnn(-c2ccccc2)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C)c1.CCn1cc(-c2ccc(Cl)cc2C(C)C)cn1
InChIInChI=1S/C18H17ClN2.C14H17ClN2.2C14H15ClN2.C13H12ClF3N2.C13H13ClF2N2.C13H15ClN2.C12H13ClN2.C11H10Cl2FN3.C11H11ClFN3.C2H6/c1-13(2)18-10-15(19)8-9-17(18)14-11-20-21(12-14)16-6-4-3-5-7-16;3*1-4-17-9-11(8-16-17)13-6-5-12(15)7-14(13)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-9(2)13-6-11(14)4-5-12(13)10-7-15-16(3)8-10;1-8(2)12-5-10(13)3-4-11(12)9-6-14-15-7-9;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13;1-2/h3-13H,1-2H3;5-10H,4H2,1-3H3;2*4-10H,1H2,2-3H3;3-8H,1-2H3;3-8,13H,1-2H3;4-9H,1-3H3;3-8H,1-2H3,(H,14,15);3-6H,1-2H3;3-7H,1-2H3;1-2H3
InChIKeyGUJJXLNRIIPXMS-UHFFFAOYSA-N
MW2597.76 g/mol
LogP43.81
Rot. Bonds25

About 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane

4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane (PubChem CID 158368975) has the molecular formula C135H144Cl11F7N22 and a molecular weight of 2597.76 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
PubChem CID158368975
Molecular FormulaC135H144Cl11F7N22
Molecular Weight2597.76 g/mol
Exact Mass2590.84
IUPAC Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
SMILESC=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.C=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.CC.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn[nH]c1.CC(C)c1cc(Cl)ccc1-c1cnn(-c2ccccc2)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C)c1.CCn1cc(-c2ccc(Cl)cc2C(C)C)cn1
InChIInChI=1S/C18H17ClN2.C14H17ClN2.2C14H15ClN2.C13H12ClF3N2.C13H13ClF2N2.C13H15ClN2.C12H13ClN2.C11H10Cl2FN3.C11H11ClFN3.C2H6/c1-13(2)18-10-15(19)8-9-17(18)14-11-20-21(12-14)16-6-4-3-5-7-16;3*1-4-17-9-11(8-16-17)13-6-5-12(15)7-14(13)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-9(2)13-6-11(14)4-5-12(13)10-7-15-16(3)8-10;1-8(2)12-5-10(13)3-4-11(12)9-6-14-15-7-9;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13;1-2/h3-13H,1-2H3;5-10H,4H2,1-3H3;2*4-10H,1H2,2-3H3;3-8H,1-2H3;3-8,13H,1-2H3;4-9H,1-3H3;3-8H,1-2H3,(H,14,15);3-6H,1-2H3;3-7H,1-2H3;1-2H3
InChIKeyGUJJXLNRIIPXMS-UHFFFAOYSA-N
XLogP43.81
TPSA214.84 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.76
LogP ≤ 543.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane with MolForge

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Related Compounds

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)-4H-pyrazol-1-ium;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 157149446
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 157282143
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
CID 157307534
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
CID 157364606
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)-1,2,4-triazol-4-ium;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethyl-1,2,4-triazol-4-ium;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyl-1,2,4-triazol-4-ium;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)-1,2,4-triazol-4-ium;ethane
CID 157477305
4-Chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;methane
CID 157916895
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)-4H-pyrazol-1-ium;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 158395231
CID 158457823
CID 158457823
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;ethane
CID 158594741
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;ethane
CID 158655157
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;ethane
CID 158960436
4-Bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 159092208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane?
The IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane (CID 158368975) is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane.
What is the SMILES notation for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane?
The canonical SMILES for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane is C=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.C=Cn1cc(-c2ccc(Cl)cc2C(C)C)cn1.CC.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn[nH]c1.CC(C)c1cc(Cl)ccc1-c1cnn(-c2ccccc2)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-c1cnn(C)c1.CCn1cc(-c2ccc(Cl)cc2C(C)C)cn1.
What is the InChIKey of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane?
The InChIKey is GUJJXLNRIIPXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2.C14H17ClN2.2C14H15ClN2.C13H12ClF3N2.C13H13ClF2N2.C13H15ClN2.C12H13ClN2.C11H10Cl2FN3.C11H11ClFN3.C2H6/c1-13(2)18-10-15(19)8-9-17(18)14-11-20-21(12-14)16-6-4-3-5-7-16;3*1-4-17-9-11(8-16-17)13-6-5-12(15)7-14(13)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-9(2)13-6-11(14)4-5-12(13)10-7-15-16(3)8-10;1-8(2)12-5-10(13)3-4-11(12)9-6-14-15-7-9;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13;1-2/h3-13H,1-2H3;5-10H,4H2,1-3H3;2*4-10H,1H2,2-3H3;3-8H,1-2H3;3-8,13H,1-2H3;4-9H,1-3H3;3-8H,1-2H3,(H,14,15);3-6H,1-2H3;3-7H,1-2H3;1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane?
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane has a molecular weight of 2597.76 g/mol, XLogP of 43.81, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane is sourced from PubChem (CID 158368975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).