4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole

C170H269ClF5N33O2 — CID 158911509

About 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole

4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 158911509) has the molecular formula C170H269ClF5N33O2 and a molecular weight of 2937.69 g/mol. Its IUPAC name is 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

• Compound Name: 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
• PubChem CID: 158911509
• Molecular Formula: C170H269ClF5N33O2
• Molecular Weight: 2937.69 g/mol
• Exact Mass: 2935.16
• IUPAC Name: 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
• SMILES: CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1ccn(C(F)(F)F)n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cn1cc(Cl)cn1.CC(C)Cc1ccn(C(F)F)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccn1C.CCn1ccc(CC(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H17N.2C12H16N2.C11H17N.2C10H16N2.C9H13F3N2.3C9H16N2.C9H15NO.C8H13ClN2.C8H12F2N2.C8H14N2O.4C8H14N2/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(10(2,3)4)9-11-6-5-7-12-9;1-10(2,3)6-5-9-11-7-4-8-12-9;1-8(2,3)6-7-4-5-14(13-7)9(10,11)12;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)5-8-11-7-4-6-10-11;1-4-11-6-5-9(10-11)7-8(2)3;1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-11-5-7(9)4-10-11;1-6(2)5-7-3-4-12(11-7)8(9)10;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)4-8-5-9-10(3)6-8;1-7(2)6-8-9-4-5-10(8)3/h4-9H,10H2,1-3H3;2*4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;5-8H,1-4H3;4,7-8H,5-6H2,1-3H3;4-5H,6H2,1-3H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;5-6,8H,4,7H2,1-3H3;6H,5H2,1-4H3;4-5H,6H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3/t;;;;8-;;;;;;;;;;;;;/m....1............./s1
• InChIKey: JGSBSVBMKQCJFV-LQBXCQAFSA-N
• XLogP: 43.49
• TPSA: 355.09 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2937.69
LogP ≤ 5	43.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The IUPAC name of 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole (CID 158911509) is 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole.

What is the SMILES notation for 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The canonical SMILES for 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole is CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1ccn(C(F)(F)F)n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cn1cc(Cl)cn1.CC(C)Cc1ccn(C(F)F)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccn1C.CCn1ccc(CC(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1.

What is the InChIKey of 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The InChIKey is JGSBSVBMKQCJFV-LQBXCQAFSA-N. The full InChI is InChI=1S/C14H17N.2C12H16N2.C11H17N.2C10H16N2.C9H13F3N2.3C9H16N2.C9H15NO.C8H13ClN2.C8H12F2N2.C8H14N2O.4C8H14N2/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(10(2,3)4)9-11-6-5-7-12-9;1-10(2,3)6-5-9-11-7-4-8-12-9;1-8(2,3)6-7-4-5-14(13-7)9(10,11)12;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)5-8-11-7-4-6-10-11;1-4-11-6-5-9(10-11)7-8(2)3;1-7-6-10-8(11-7)5-9(2,3)4;1-8(2,3)6-11-5-7(9)4-10-11;1-6(2)5-7-3-4-12(11-7)8(9)10;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)4-8-5-9-10(3)6-8;1-7(2)6-8-9-4-5-10(8)3/h4-9H,10H2,1-3H3;2*4-7,9H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;5-8H,1-4H3;4,7-8H,5-6H2,1-3H3;4-5H,6H2,1-3H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;5-6,8H,4,7H2,1-3H3;6H,5H2,1-4H3;4-5H,6H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3/t;;;;8-;;;;;;;;;;;;;/m....1............./s1.

What are the key properties of 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 2937.69 g/mol, XLogP of 43.49, 29 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(2,2-dimethylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;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;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)-1-(trifluoromethyl)pyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 158911509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).