1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C183H292F4N8O10 — CID 159035582

About 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159035582) has the molecular formula C183H292F4N8O10 and a molecular weight of 2840.39 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
• PubChem CID: 159035582
• Molecular Formula: C183H292F4N8O10
• Molecular Weight: 2840.39 g/mol
• Exact Mass: 2838.25
• IUPAC Name: 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1cccc(C(C)C)c1.CC(C)(C)n1ccc(C2CC2)n1.CC(C)Oc1ccccc1C(C)C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ccc(OC)c(C(C)C)c1.COc1ncccc1C(C)C.Cc1cc(OCC(C)C)nn1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[C-]#[N+]c1ccccc1C(C)C
• InChI: InChI=1S/C12H15N.C12H18O.C11H20N2O.C11H17N.C11H16O2.C11H16O.C11H14O.2C11H16O.C10H11F3.C10H13FO.C10H16N2.C10H11N.2C10H14.C9H13NO.13CH4/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-8(2)7-14-11-6-10(5)13(12-11)9(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;;;;;;;;;;;;;/h4-9H,1-3H3;5-10H,1-4H3;6,8-9H,7H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;13*1H4
• InChIKey: JVKNFIDPAHCYNE-UHFFFAOYSA-N
• XLogP: 57.35
• TPSA: 161.20 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 32
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2840.39
LogP ≤ 5	57.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The IUPAC name of 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159035582) is 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

What is the SMILES notation for 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The canonical SMILES for 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1cccc(C(C)C)c1.CC(C)(C)n1ccc(C2CC2)n1.CC(C)Oc1ccccc1C(C)C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccccc1N(C)C.CCOc1ccc(C(C)C)cc1.CCOc1ccccc1C(C)C.COc1cc(C)ccc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ccc(OC)c(C(C)C)c1.COc1ncccc1C(C)C.Cc1cc(OCC(C)C)nn1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[C-]#[N+]c1ccccc1C(C)C.

What is the InChIKey of 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The InChIKey is JVKNFIDPAHCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H18O.C11H20N2O.C11H17N.C11H16O2.C11H16O.C11H14O.2C11H16O.C10H11F3.C10H13FO.C10H16N2.C10H11N.2C10H14.C9H13NO.13CH4/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-8(2)7-14-11-6-10(5)13(12-11)9(3)4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;;;;;;;;;;;;;/h4-9H,1-3H3;5-10H,1-4H3;6,8-9H,7H2,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;13*1H4.

What are the key properties of 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 2840.39 g/mol, XLogP of 57.35, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159035582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).