2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol

C129H167ClF23N23O7 — CID 162182352

About 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol

2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol (PubChem CID 162182352) has the molecular formula C129H167ClF23N23O7 and a molecular weight of 2624.32 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol.

Molecular Properties

• Compound Name: 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
• PubChem CID: 162182352
• Molecular Formula: C129H167ClF23N23O7
• Molecular Weight: 2624.32 g/mol
• Exact Mass: 2622.27
• IUPAC Name: 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
• SMILES: CC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)c1ccnc(Cl)c1.CC(C)n1cc(C(=O)O)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CC(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CCOCc1cn(C(C)C)nc1C(F)(F)F.CNCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc(=O)n(C(C)C)c2ccccc12.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C
• InChI: InChI=1S/C13H15F3N2.C13H15NO.C12H16F2N2.C12H16N2.C11H16F3N3.C11H15F3N2O.C11H13F3N2O.C11H13NO.C10H15F3N2O.C9H14F3N3.C8H10ClN.C8H9F3N2O2/c1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-9(2)14-12-7-5-4-6-11(12)10(3)8-13(14)15;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;2*1-6(2)16-9-5-7(17)3-4-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13;1-6(2)15-5-7(4-13-3)8(14-15)9(10,11)12;1-6(2)7-3-4-10-8(9)5-7;1-4(2)13-3-5(7(14)15)6(12-13)8(9,10)11/h5-7H,1-4H3;4-9H,1-3H3;6-7,9,12H,3-5H2,1-2H3;5-8H,1-4H3;7H,4-6H2,1-3H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13);5,7H,4,6H2,1-3H3;5-6,13H,4H2,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,14,15)
• InChIKey: ZPEVPCXGWDARGD-UHFFFAOYSA-N
• XLogP: 33.40
• TPSA: 327.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2624.32
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol?

The IUPAC name of 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol (CID 162182352) is 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol.

What is the SMILES notation for 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol?

The canonical SMILES for 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol is CC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)c1ccnc(Cl)c1.CC(C)n1cc(C(=O)O)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CC(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CCOCc1cn(C(C)C)nc1C(F)(F)F.CNCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc(=O)n(C(C)C)c2ccccc12.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C.

What is the InChIKey of 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol?

The InChIKey is ZPEVPCXGWDARGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2.C13H15NO.C12H16F2N2.C12H16N2.C11H16F3N3.C11H15F3N2O.C11H13F3N2O.C11H13NO.C10H15F3N2O.C9H14F3N3.C8H10ClN.C8H9F3N2O2/c1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-9(2)14-12-7-5-4-6-11(12)10(3)8-13(14)15;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;2*1-6(2)16-9-5-7(17)3-4-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13;1-6(2)15-5-7(4-13-3)8(14-15)9(10,11)12;1-6(2)7-3-4-10-8(9)5-7;1-4(2)13-3-5(7(14)15)6(12-13)8(9,10)11/h5-7H,1-4H3;4-9H,1-3H3;6-7,9,12H,3-5H2,1-2H3;5-8H,1-4H3;7H,4-6H2,1-3H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13);5,7H,4,6H2,1-3H3;5-6,13H,4H2,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,14,15).

What are the key properties of 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol?

2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol has a molecular weight of 2624.32 g/mol, XLogP of 33.40, 19 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-propan-2-ylpyridine;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 162182352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).