1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole

C166H267ClF3N32O2+ — CID 157488619

About 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole

1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 157488619) has the molecular formula C166H267ClF3N32O2+ and a molecular weight of 2835.63 g/mol. Its IUPAC name is 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

• Compound Name: 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole
• PubChem CID: 157488619
• Molecular Formula: C166H267ClF3N32O2+
• Molecular Weight: 2835.63 g/mol
• Exact Mass: 2833.14
• IUPAC Name: 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole
• SMILES: CC(C)(C)C[N+]1=NC(C(C)(F)F)C=C1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)Cc1ccn(C(C)F)n1.CC(C)Cc1ccn(C2CCCC2)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.CC(C)Cc1nccn1Cc1ccccc1.CC(C)Cn1cc(Cl)cn1.CCn1ccc(CC(C)(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cccnc1CC(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1cc(CC(C)(C)C)cn1.Cn1ccc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H18N2.2C12H16N2.C12H20N2.C11H17N.C10H17F2N2.C10H16N2.C10H18N2.C9H15FN2.2C9H16N2.C9H15NO.C8H14N2O.3C8H14N2.C7H11ClN2/c1-12(2)10-14-15-8-9-16(14)11-13-6-4-3-5-7-13;2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-10(2)9-11-7-8-14(13-11)12-5-3-4-6-12;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9(2,3)7-14-6-5-8(13-14)10(4,11)12;1-8(10(2,3)4)9-11-6-5-7-12-9;1-5-12-7-6-9(11-12)8-10(2,3)4;1-7(2)6-9-4-5-12(11-9)8(3)10;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-5-6-11(4)10-8;1-7-6-10-8(11-7)5-9(2,3)4;1-6-9-10-7(11-6)5-8(2,3)4;1-7(2)5-10-6-8(3)4-9-10;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-6(2)4-10-5-7(8)3-9-10/h3-9,12H,10-11H2,1-2H3;2*4-7,9H,8H2,1-3H3;7-8,10,12H,3-6,9H2,1-2H3;5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;5-8H,1-4H3;6-7H,5,8H2,1-4H3;4-5,7-8H,6H2,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;6H,5H2,1-4H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;3,5-6H,4H2,1-2H3/q;;;;;+1;;;;;;;;;;;/t;;;;;;8-;;;;;;;;;;/m......1........../s1
• InChIKey: WYAFENVSOKIVMT-WNMMNRBSSA-N
• XLogP: 41.72
• TPSA: 331.79 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.63
LogP ≤ 5	41.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole?

The IUPAC name of 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole (CID 157488619) is 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole.

What is the SMILES notation for 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole?

The canonical SMILES for 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole is CC(C)(C)C[N+]1=NC(C(C)(F)F)C=C1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)Cc1ccn(C(C)F)n1.CC(C)Cc1ccn(C2CCCC2)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.CC(C)Cc1nccn1Cc1ccccc1.CC(C)Cn1cc(Cl)cn1.CCn1ccc(CC(C)(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cccnc1CC(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1cc(CC(C)(C)C)cn1.Cn1ccc(CC(C)(C)C)n1.

What is the InChIKey of 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole?

The InChIKey is WYAFENVSOKIVMT-WNMMNRBSSA-N. The full InChI is InChI=1S/C14H18N2.2C12H16N2.C12H20N2.C11H17N.C10H17F2N2.C10H16N2.C10H18N2.C9H15FN2.2C9H16N2.C9H15NO.C8H14N2O.3C8H14N2.C7H11ClN2/c1-12(2)10-14-15-8-9-16(14)11-13-6-4-3-5-7-13;2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-10(2)9-11-7-8-14(13-11)12-5-3-4-6-12;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9(2,3)7-14-6-5-8(13-14)10(4,11)12;1-8(10(2,3)4)9-11-6-5-7-12-9;1-5-12-7-6-9(11-12)8-10(2,3)4;1-7(2)6-9-4-5-12(11-9)8(3)10;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-5-6-11(4)10-8;1-7-6-10-8(11-7)5-9(2,3)4;1-6-9-10-7(11-6)5-8(2,3)4;1-7(2)5-10-6-8(3)4-9-10;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-6(2)4-10-5-7(8)3-9-10/h3-9,12H,10-11H2,1-2H3;2*4-7,9H,8H2,1-3H3;7-8,10,12H,3-6,9H2,1-2H3;5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;5-8H,1-4H3;6-7H,5,8H2,1-4H3;4-5,7-8H,6H2,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;6H,5H2,1-4H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;3,5-6H,4H2,1-2H3/q;;;;;+1;;;;;;;;;;;/t;;;;;;8-;;;;;;;;;;/m......1........../s1.

What are the key properties of 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole?

1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 2835.63 g/mol, XLogP of 41.72, 30 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 157488619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).