2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene

C169H243ClF7N7O6S — CID 161415488

About 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene

2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene (PubChem CID 161415488) has the molecular formula C169H243ClF7N7O6S and a molecular weight of 2669.35 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
• PubChem CID: 161415488
• Molecular Formula: C169H243ClF7N7O6S
• Molecular Weight: 2669.35 g/mol
• Exact Mass: 2666.82
• IUPAC Name: 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
• SMILES: CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)C1CC2CCC1C2.CC(C)C1CCCCC1.CC(C)OC(C)c1ccccc1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccsc1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C14H21N.C13H21N.C12H15N3.C12H17NO2.C11H17N.2C11H16O.C10H12ClFO.C10H11F3O.C10H12F2.C10H18.2C10H14.C9H11F.C9H18.C7H10S/c1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-5-14(6-2)13-9-7-12(8-10-13)11(3)4;1-12(2,3)15-9-7-11(14-15)10-6-4-5-8-13-10;1-4-15-12(14)7-11-6-5-10(8-13-11)9(2)3;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7/h6-9,12H,3-5,10-11H2,1-2H3;7-11H,5-6H2,1-4H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-10H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7,10H,1-2H3;7-10H,3-6H2,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3
• InChIKey: VWAKOCKDSAATOL-UHFFFAOYSA-N
• XLogP: 51.07
• TPSA: 116.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2669.35
LogP ≤ 5	51.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene?

The IUPAC name of 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene (CID 161415488) is 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene.

What is the SMILES notation for 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene?

The canonical SMILES for 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene is CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)C1CC2CCC1C2.CC(C)C1CCCCC1.CC(C)OC(C)c1ccccc1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccsc1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.

What is the InChIKey of 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene?

The InChIKey is VWAKOCKDSAATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H21N.C12H15N3.C12H17NO2.C11H17N.2C11H16O.C10H12ClFO.C10H11F3O.C10H12F2.C10H18.2C10H14.C9H11F.C9H18.C7H10S/c1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-5-14(6-2)13-9-7-12(8-10-13)11(3)4;1-12(2,3)15-9-7-11(14-15)10-6-4-5-8-13-10;1-4-15-12(14)7-11-6-5-10(8-13-11)9(2)3;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7/h6-9,12H,3-5,10-11H2,1-2H3;7-11H,5-6H2,1-4H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-10H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7,10H,1-2H3;7-10H,3-6H2,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3.

What are the key properties of 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene?

2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene has a molecular weight of 2669.35 g/mol, XLogP of 51.07, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-tert-butylpyrazol-3-yl)pyridine;5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;1-(difluoromethyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-fluoro-3-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;1-propan-2-yloxyethylbenzene;1-(4-propan-2-ylphenyl)piperidine;3-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 161415488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).