1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C203H291ClF3N13O11 — CID 160640714

About 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160640714) has the molecular formula C203H291ClF3N13O11 and a molecular weight of 3182.09 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 160640714
• Molecular Formula: C203H291ClF3N13O11
• Molecular Weight: 3182.09 g/mol
• Exact Mass: 3179.23
• IUPAC Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)CCCCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cnc(C(C)C)nc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1Cl.Cc1cccc(C)c1C(C)C
• InChI: InChI=1S/C15H23N.C13H16N2.C13H20.C12H15N3.C12H17NO2.C12H16O2.C12H18O.C11H20N2O.C11H17N.2C11H16O.C11H16.C10H13ClO.C10H16N2.2C10H14O.C10H14.C9H10F3N/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-12(2)8-6-7-11-13-9-4-3-5-10-13;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)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)10-6-5-7-11(8-10)12(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)9-5-11-10(8(3)4)12-6-9;1-8(2)10-5-3-4-9(6-10)7-11;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;3-5,9-10,12H,6-8,11H2,1-2H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3
• InChIKey: RJDCVAKKORBLSS-UHFFFAOYSA-N
• XLogP: 55.09
• TPSA: 244.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3182.09
LogP ≤ 5	55.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160640714) is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)CCCCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cnc(C(C)C)nc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1Cl.Cc1cccc(C)c1C(C)C.

What is the InChIKey of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is RJDCVAKKORBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H16N2.C13H20.C12H15N3.C12H17NO2.C12H16O2.C12H18O.C11H20N2O.C11H17N.2C11H16O.C11H16.C10H13ClO.C10H16N2.2C10H14O.C10H14.C9H10F3N/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-12(2)8-6-7-11-13-9-4-3-5-10-13;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)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)10-6-5-7-11(8-10)12(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)9-5-11-10(8(3)4)12-6-9;1-8(2)10-5-3-4-9(6-10)7-11;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;3-5,9-10,12H,6-8,11H2,1-2H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3182.09 g/mol, XLogP of 55.09, 42 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;1-chloro-2-methoxy-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methylhexylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160640714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).