4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole

C130H168BrCl2F17N20O2 — CID 157377824

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 157377824) has the molecular formula C130H168BrCl2F17N20O2 and a molecular weight of 2516.69 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole
• PubChem CID: 157377824
• Molecular Formula: C130H168BrCl2F17N20O2
• Molecular Weight: 2516.69 g/mol
• Exact Mass: 2513.19
• IUPAC Name: 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole
• SMILES: C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1c[nH]c2ccc(N)cc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.CC(C)n1ncc2c(Cl)cc(Cl)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1
• InChI: InChI=1S/C13H15NO.C12H22N2.2C12H15N.C11H12F4N2O.C11H15F3N2.C11H11F2N.C11H14N2.C10H10Cl2N2.C9H12BrF3N2.C9H11F5N2.C9H16N2/c1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h4-9H,1-3H3;7-10H,1-6H3;2*4-9H,1-3H3;5H,4H2,1-3H3;5-7,11H,1H2,2-4H3;3-7H,1-2H3;3-7,13H,12H2,1-2H3;3-6H,1-2H3;4-5,9H,1-3H3;4-5H,1-3H3;5-8H,1-4H3
• InChIKey: BKNDQWGZYQRZIM-UHFFFAOYSA-N
• XLogP: 42.20
• TPSA: 220.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.69
LogP ≤ 5	42.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole?

The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole (CID 157377824) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole.

What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole?

The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole is C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1c[nH]c2ccc(N)cc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.CC(C)n1ncc2c(Cl)cc(Cl)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1.

What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole?

The InChIKey is BKNDQWGZYQRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H22N2.2C12H15N.C11H12F4N2O.C11H15F3N2.C11H11F2N.C11H14N2.C10H10Cl2N2.C9H12BrF3N2.C9H11F5N2.C9H16N2/c1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h4-9H,1-3H3;7-10H,1-6H3;2*4-9H,1-3H3;5H,4H2,1-3H3;5-7,11H,1H2,2-4H3;3-7H,1-2H3;3-7,13H,12H2,1-2H3;3-6H,1-2H3;4-5,9H,1-3H3;4-5H,1-3H3;5-8H,1-4H3.

What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole?

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole has a molecular weight of 2516.69 g/mol, XLogP of 42.20, 23 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 157377824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).