1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole

C188H195Cl14F13N30 — CID 159525162

About 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 159525162) has the molecular formula C188H195Cl14F13N30 and a molecular weight of 3618.15 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
• PubChem CID: 159525162
• Molecular Formula: C188H195Cl14F13N30
• Molecular Weight: 3618.15 g/mol
• Exact Mass: 3609.16
• IUPAC Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
• SMILES: C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.CC(C)c1c(-n2cc(C#N)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)cn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)cn1.CC(C)c1cc(Cl)ccc1-n1cnc(C#N)c1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)F)c1.CCc1cn(-c2ccc(Cl)cc2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nc1C.Cc1cncn1-c1ccc(Cl)cc1C(C)C
• InChI: InChI=1S/2C14H17ClN2.4C14H15ClN2.C13H11ClF4N2.2C13H12ClF3N2.C13H13ClF2N2.C13H11ClFN3.C13H12ClN3.2C13H15ClN2/c1-9(2)13-7-12(15)5-6-14(13)17-8-10(3)11(4)16-17;5*1-4-12-8-17(9-16-12)14-6-5-11(15)7-13(14)10(2)3;1-7(2)11-10(4-3-9(14)12(11)15)20-6-8(5-19-20)13(16,17)18;1-8(2)11-5-10(14)3-4-12(11)19-7-9(6-18-19)13(15,16)17;1-8(2)10-5-9(14)3-4-11(10)19-6-12(18-7-19)13(15,16)17;1-8(2)10-5-9(14)3-4-12(10)18-6-11(13(15)16)17-7-18;1-8(2)12-11(4-3-10(14)13(12)15)18-7-9(5-16)6-17-18;1-9(2)12-5-10(14)3-4-13(12)17-7-11(6-15)16-8-17;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-9(2)12-6-11(14)4-5-13(12)16-8-15-7-10(16)3/h5-9H,1-4H3;5-10H,4H2,1-3H3;4*4-10H,1H2,2-3H3;3-7H,1-2H3;2*3-8H,1-2H3;3-8,13H,1-2H3;3-4,6-8H,1-2H3;3-5,7-9H,1-2H3;2*4-9H,1-3H3
• InChIKey: MCHGXQAIQUPASL-UHFFFAOYSA-N
• XLogP: 59.47
• TPSA: 297.06 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3618.15
LogP ≤ 5	59.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole?

The IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole (CID 159525162) is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole.

What is the SMILES notation for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole?

The canonical SMILES for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole is C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.C=Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.CC(C)c1c(-n2cc(C#N)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)cn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)cn1.CC(C)c1cc(Cl)ccc1-n1cnc(C#N)c1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)F)c1.CCc1cn(-c2ccc(Cl)cc2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nc1C.Cc1cncn1-c1ccc(Cl)cc1C(C)C.

What is the InChIKey of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole?

The InChIKey is MCHGXQAIQUPASL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17ClN2.4C14H15ClN2.C13H11ClF4N2.2C13H12ClF3N2.C13H13ClF2N2.C13H11ClFN3.C13H12ClN3.2C13H15ClN2/c1-9(2)13-7-12(15)5-6-14(13)17-8-10(3)11(4)16-17;5*1-4-12-8-17(9-16-12)14-6-5-11(15)7-13(14)10(2)3;1-7(2)11-10(4-3-9(14)12(11)15)20-6-8(5-19-20)13(16,17)18;1-8(2)11-5-10(14)3-4-12(11)19-7-9(6-18-19)13(15,16)17;1-8(2)10-5-9(14)3-4-11(10)19-6-12(18-7-19)13(15,16)17;1-8(2)10-5-9(14)3-4-12(10)18-6-11(13(15)16)17-7-18;1-8(2)12-11(4-3-10(14)13(12)15)18-7-9(5-16)6-17-18;1-9(2)12-5-10(14)3-4-13(12)17-7-11(6-15)16-8-17;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-9(2)12-6-11(14)4-5-13(12)16-8-15-7-10(16)3/h5-9H,1-4H3;5-10H,4H2,1-3H3;4*4-10H,1H2,2-3H3;3-7H,1-2H3;2*3-8H,1-2H3;3-8,13H,1-2H3;3-4,6-8H,1-2H3;3-5,7-9H,1-2H3;2*4-9H,1-3H3.

What are the key properties of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole?

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 3618.15 g/mol, XLogP of 59.47, 34 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);1-(4-chloro-2-propan-2-ylphenyl)-4-ethylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159525162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).