1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole

C96H112Cl4F15N9O3S — CID 160829166

IUPAC1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1S(C)=O.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(F)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(F)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C11H12ClN3.C10H10ClF3.C10H13FO.C10H12N2.C10H15N.C10H14OS.2C9H9ClF3N.C9H12FNO.C8H6F4/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-7(10)4-5-8(11-9)12-3;1-5-4-6(9)2-3-7(5)8(10,11)12/h3-8H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;4-8H,1-3H3;2*3-5H,1-2H3;4-6H,1-3H3;2-4H,1H3
InChIKeySGOMVZDKKMCFFO-UHFFFAOYSA-N
MW1898.86 g/mol
LogP31.75
Rot. Bonds14

About 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole

1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole (PubChem CID 160829166) has the molecular formula C96H112Cl4F15N9O3S and a molecular weight of 1898.86 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole
PubChem CID160829166
Molecular FormulaC96H112Cl4F15N9O3S
Molecular Weight1898.86 g/mol
Exact Mass1895.71
IUPAC Name1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1S(C)=O.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(F)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(F)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C11H12ClN3.C10H10ClF3.C10H13FO.C10H12N2.C10H15N.C10H14OS.2C9H9ClF3N.C9H12FNO.C8H6F4/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-7(10)4-5-8(11-9)12-3;1-5-4-6(9)2-3-7(5)8(10,11)12/h3-8H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;4-8H,1-3H3;2*3-5H,1-2H3;4-6H,1-3H3;2-4H,1H3
InChIKeySGOMVZDKKMCFFO-UHFFFAOYSA-N
XLogP31.75
TPSA146.48 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.86
LogP ≤ 531.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
CID 157351327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole?
The IUPAC name of 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole (CID 160829166) is 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole.
What is the SMILES notation for 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole?
The canonical SMILES for 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole is CC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1S(C)=O.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(F)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(F)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole?
The InChIKey is SGOMVZDKKMCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.C10H10ClF3.C10H13FO.C10H12N2.C10H15N.C10H14OS.2C9H9ClF3N.C9H12FNO.C8H6F4/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-7(10)4-5-8(11-9)12-3;1-5-4-6(9)2-3-7(5)8(10,11)12/h3-8H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;4-8H,1-3H3;2*3-5H,1-2H3;4-6H,1-3H3;2-4H,1H3.
What are the key properties of 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole?
1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole has a molecular weight of 1898.86 g/mol, XLogP of 31.75, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole is sourced from PubChem (CID 160829166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).