4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine

C156H203Br7ClF8N37 — CID 158861148

About 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine

4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine (PubChem CID 158861148) has the molecular formula C156H203Br7ClF8N37 and a molecular weight of 3343.36 g/mol. Its IUPAC name is 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine.

Molecular Properties

• Compound Name: 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine
• PubChem CID: 158861148
• Molecular Formula: C156H203Br7ClF8N37
• Molecular Weight: 3343.36 g/mol
• Exact Mass: 3334.09
• IUPAC Name: 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine
• SMILES: CC(C)(C)n1cc(Br)c(C(F)(F)F)n1.CC(C)c1cccnn1.CC(C)c1nn(C(C)C)cc1Br.CC(C)n1cc(Br)c(C#N)n1.CC(C)n1cc(Br)c(C(F)F)n1.CC(C)n1cc(Br)c(C2CC2)n1.CC(C)n1cc2c(F)cccc2n1.CC(C)n1cc2c(n1)CCC2.CC(C)n1cc2ccccc2n1.CC(C)n1ncc2c(F)cc(Br)cc21.CC(C)n1ncc2c(F)cccc21.CC(C)n1ncc2ccc(Cl)nc21.CC(C)n1ncc2ccccc21.Cc1cc(-c2cnn(C)c2)cc(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1nn(C(C)C)cc1-c1ccccc1.Cc1nn(C(C)C)cc1Br
• InChI: InChI=1S/C13H17N3.C13H16N2.C10H10BrFN2.2C10H11FN2.2C10H12N2.C9H13BrN2.C9H15BrN2.C9H10ClN3.C9H14N2.C8H10BrF3N2.C8H14N2.C7H9BrF2N2.C7H8BrN3.C7H11BrN2.C7H10N2/c1-9(2)13-6-11(5-10(3)15-13)12-7-14-16(4)8-12;1-10(2)15-9-13(11(3)14-15)12-7-5-4-6-8-12;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-7(2)13-6-8-9(11)4-3-5-10(8)12-13;1-7(2)13-10-5-3-4-9(11)8(10)6-12-13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)12-5-8(10)9(11-12)7-3-4-7;1-6(2)9-8(10)5-12(11-9)7(3)4;1-6(2)13-9-7(5-11-13)3-4-8(10)12-9;1-7(2)11-6-8-4-3-5-9(8)10-11;1-7(2,3)14-4-5(9)6(13-14)8(10,11)12;1-6(2)10-8(4)5-7(3)9-10;1-4(2)12-3-5(8)6(11-12)7(9)10;1-5(2)11-4-6(8)7(3-9)10-11;1-5(2)10-4-7(8)6(3)9-10;1-6(2)7-4-3-5-8-9-7/h5-9H,1-4H3;4-10H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-8H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;4H,1-3H3;5-6H,1-4H3;3-4,7H,1-2H3;4-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
• InChIKey: JARCDMIEWLVQDJ-UHFFFAOYSA-N
• XLogP: 46.59
• TPSA: 360.47 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3343.36
LogP ≤ 5	46.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine?

The IUPAC name of 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine (CID 158861148) is 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine.

What is the SMILES notation for 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine?

The canonical SMILES for 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine is CC(C)(C)n1cc(Br)c(C(F)(F)F)n1.CC(C)c1cccnn1.CC(C)c1nn(C(C)C)cc1Br.CC(C)n1cc(Br)c(C#N)n1.CC(C)n1cc(Br)c(C(F)F)n1.CC(C)n1cc(Br)c(C2CC2)n1.CC(C)n1cc2c(F)cccc2n1.CC(C)n1cc2c(n1)CCC2.CC(C)n1cc2ccccc2n1.CC(C)n1ncc2c(F)cc(Br)cc21.CC(C)n1ncc2c(F)cccc21.CC(C)n1ncc2ccc(Cl)nc21.CC(C)n1ncc2ccccc21.Cc1cc(-c2cnn(C)c2)cc(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1nn(C(C)C)cc1-c1ccccc1.Cc1nn(C(C)C)cc1Br.

What is the InChIKey of 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine?

The InChIKey is JARCDMIEWLVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C13H16N2.C10H10BrFN2.2C10H11FN2.2C10H12N2.C9H13BrN2.C9H15BrN2.C9H10ClN3.C9H14N2.C8H10BrF3N2.C8H14N2.C7H9BrF2N2.C7H8BrN3.C7H11BrN2.C7H10N2/c1-9(2)13-6-11(5-10(3)15-13)12-7-14-16(4)8-12;1-10(2)15-9-13(11(3)14-15)12-7-5-4-6-8-12;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-7(2)13-6-8-9(11)4-3-5-10(8)12-13;1-7(2)13-10-5-3-4-9(11)8(10)6-12-13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)12-5-8(10)9(11-12)7-3-4-7;1-6(2)9-8(10)5-12(11-9)7(3)4;1-6(2)13-9-7(5-11-13)3-4-8(10)12-9;1-7(2)11-6-8-4-3-5-9(8)10-11;1-7(2,3)14-4-5(9)6(13-14)8(10,11)12;1-6(2)10-8(4)5-7(3)9-10;1-4(2)12-3-5(8)6(11-12)7(9)10;1-5(2)11-4-6(8)7(3-9)10-11;1-5(2)10-4-7(8)6(3)9-10;1-6(2)7-4-3-5-8-9-7/h5-9H,1-4H3;4-10H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-8H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;4H,1-3H3;5-6H,1-4H3;3-4,7H,1-2H3;4-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3.

What are the key properties of 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine?

4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine has a molecular weight of 3343.36 g/mol, XLogP of 46.59, 21 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-tert-butyl-3-(trifluoromethyl)pyrazole;4-bromo-3-cyclopropyl-1-propan-2-ylpyrazole;4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole;4-bromo-1,3-di(propan-2-yl)pyrazole;6-bromo-4-fluoro-1-propan-2-ylindazole;4-bromo-3-methyl-1-propan-2-ylpyrazole;4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;3,5-dimethyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylindazole;4-fluoro-2-propan-2-ylindazole;2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylpyridine;3-methyl-4-phenyl-1-propan-2-ylpyrazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-propan-2-ylindazole;2-propan-2-ylindazole;3-propan-2-ylpyridazine is sourced from PubChem (CID 158861148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).