1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine

C172H254F6N14O10 — CID 162010739

About 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 162010739) has the molecular formula C172H254F6N14O10 and a molecular weight of 2792.00 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 162010739
• Molecular Formula: C172H254F6N14O10
• Molecular Weight: 2792.00 g/mol
• Exact Mass: 2789.97
• IUPAC Name: 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(C(=O)NCCC#N)c1.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCn1cc(C(C)C)cn1.COCc1ccc(C(C)C)cc1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F
• InChI: InChI=1S/C13H18FNO.C13H16N2O.C13H20.C12H16O2.C11H20N2O.C11H20N2.C11H16O2.C11H16O.C10H13F.C10H18N2.C10H16N2.C10H14O.C10H14.C9H10F3N.C9H11FO.C9H16N2/c1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-10(2)11-5-3-6-12(9-11)13(16)15-8-4-7-14;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;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)8-10-6-4-3-5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h5-9H,1-4H3,(H,15,16);3,5-6,9-10H,4,8H2,1-2H3,(H,15,16);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;6-7,9H,8H2,1-5H3;7-10H,5-6H2,1-4H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;5,7-9H,6H2,1-4H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3
• InChIKey: YTLADXREGXJCIP-UHFFFAOYSA-N
• XLogP: 46.25
• TPSA: 287.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 37
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.00
LogP ≤ 5	46.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 162010739) is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(C(=O)NCCC#N)c1.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCn1cc(C(C)C)cn1.COCc1ccc(C(C)C)cc1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F.

What is the InChIKey of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is YTLADXREGXJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.C13H16N2O.C13H20.C12H16O2.C11H20N2O.C11H20N2.C11H16O2.C11H16O.C10H13F.C10H18N2.C10H16N2.C10H14O.C10H14.C9H10F3N.C9H11FO.C9H16N2/c1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-10(2)11-5-3-6-12(9-11)13(16)15-8-4-7-14;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;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)8-10-6-4-3-5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h5-9H,1-4H3,(H,15,16);3,5-6,9-10H,4,8H2,1-2H3,(H,15,16);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;6-7,9H,8H2,1-5H3;7-10H,5-6H2,1-4H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;5,7-9H,6H2,1-4H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3.

What are the key properties of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine?

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 2792.00 g/mol, XLogP of 46.25, 37 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 162010739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).