tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

C164H221ClF24N42O3 — CID 160851683

About tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (PubChem CID 160851683) has the molecular formula C164H221ClF24N42O3 and a molecular weight of 3320.27 g/mol. Its IUPAC name is tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

Molecular Properties

• Compound Name: tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
• PubChem CID: 160851683
• Molecular Formula: C164H221ClF24N42O3
• Molecular Weight: 3320.27 g/mol
• Exact Mass: 3317.77
• IUPAC Name: tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
• SMILES: CCC1=NCc2cc(C)ccc21.CCc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cn1ccnc1
• InChI: InChI=1S/C15H20N2O2.C12H17N.C11H13N.C10H14N2O.C9H10N2.2C7H9F3N2.2C7H12N2.C6H6ClN.4C6H7F3N2.4C6H10N2.C6H7N.2C5H5F3N2.C5H8N2.C4H6N2/c1-6-12-11-8-7-10(2)9-13(11)17(16-12)14(18)19-15(3,4)5;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-3-11-10-5-4-8(2)6-9(10)7-12-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-4-5(2)11-12(3)6(4)7(8,9)10;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h7-9H,6H2,1-5H3;7-9,11H,2-6H2,1H3;4-6H,3,7H2,1-2H3;2-3,8H,4-7H2,1H3;3-5H,1-2H3,(H,10,11);2*1-3H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2-5H,1H3;2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7);2-4H,1H3
• InChIKey: SJILYQYYAVSAIK-UHFFFAOYSA-N
• XLogP: 40.73
• TPSA: 510.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 4
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3320.27
LogP ≤ 5	40.73
H-Bond Donors ≤ 5	8
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 tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The IUPAC name of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) (CID 160851683) is tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole).

What is the SMILES notation for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The canonical SMILES for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is CCC1=NCc2cc(C)ccc21.CCc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cn1ccnc1.

What is the InChIKey of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

The InChIKey is SJILYQYYAVSAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C12H17N.C11H13N.C10H14N2O.C9H10N2.2C7H9F3N2.2C7H12N2.C6H6ClN.4C6H7F3N2.4C6H10N2.C6H7N.2C5H5F3N2.C5H8N2.C4H6N2/c1-6-12-11-8-7-10(2)9-13(11)17(16-12)14(18)19-15(3,4)5;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-3-11-10-5-4-8(2)6-9(10)7-12-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-4-5(2)11-12(3)6(4)7(8,9)10;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;2*1-3-2-9-10-4(3)5(6,7)8;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h7-9H,6H2,1-5H3;7-9,11H,2-6H2,1H3;4-6H,3,7H2,1-2H3;2-3,8H,4-7H2,1H3;3-5H,1-2H3,(H,10,11);2*1-3H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;2*1-3H3,(H,7,8);2-5H,1H3;2*2H,1H3,(H,9,10);3H,1-2H3,(H,6,7);2-4H,1H3.

What are the key properties of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)?

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) has a molecular weight of 3320.27 g/mol, XLogP of 40.73, 4 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole) is sourced from PubChem (CID 160851683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).