1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene

C203H299N15O8S — CID 158212819

About 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene (PubChem CID 158212819) has the molecular formula C203H299N15O8S and a molecular weight of 3109.79 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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene
• PubChem CID: 158212819
• Molecular Formula: C203H299N15O8S
• Molecular Weight: 3109.79 g/mol
• Exact Mass: 3107.32
• IUPAC Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene
• SMILES: CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)CCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccsc1.CC(C)c1cnc(C(C)C)nc1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1C.Cc1cccc(C)c1C(C)C
• InChI: InChI=1S/C15H23N.C13H16N2.C13H20N2.C13H21N.C12H15N3.C12H17NO2.C12H18O.C11H20N2O.C11H17N.2C11H16O.2C11H16.C10H16N2.2C10H14O.C10H14.C7H10S/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;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;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)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;1-8(2)10-6-5-9(3)11(7-10)12-4;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;1-10(2)8-9-11-6-4-3-5-7-11;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)7-3-4-8-5-7/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;7-11H,5-6H2,1-4H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;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: GCGYOLLHUYHPNC-UHFFFAOYSA-N
• XLogP: 54.54
• TPSA: 223.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3109.79
LogP ≤ 5	54.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', '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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene?

The IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene (CID 158212819) is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene.

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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene?

The canonical SMILES for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene is CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)(C)n1ccc(-c2ccccn2)n1.CC(C)CCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccsc1.CC(C)c1cnc(C(C)C)nc1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1C.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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene?

The InChIKey is GCGYOLLHUYHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H16N2.C13H20N2.C13H21N.C12H15N3.C12H17NO2.C12H18O.C11H20N2O.C11H17N.2C11H16O.2C11H16.C10H16N2.2C10H14O.C10H14.C7H10S/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;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;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)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;1-8(2)10-6-5-9(3)11(7-10)12-4;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;1-10(2)8-9-11-6-4-3-5-7-11;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)7-3-4-8-5-7/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;7-11H,5-6H2,1-4H3;4-9H,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene?

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene has a molecular weight of 3109.79 g/mol, XLogP of 54.54, 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;N,N-diethyl-4-propan-2-ylaniline;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;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-ylthiophene is sourced from PubChem (CID 158212819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).