3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C113H179F6N15O2 — CID 158865883

IUPAC3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC1=CCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CCC1=NCC(C)=C1C(C)C.CCC1=NCC(CC)=C1C(C)C.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1coc(C)c1C(C)C.Cc1noc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C12H15N3.C11H19N.C10H18N2.C10H17N.C10H16.3C9H15N.C9H14O.C8H11F3N2.C8H10F3NO.C8H14N2/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5-9-10(7(2)3)8(4)6-11-9;1-7(2)10-8(3)5-6-9(10)4;4*1-6(2)9-7(3)5-10-8(9)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-4(2)6-5(3)12-13-7(6)8(9,10)11;1-6(2)8-5-7(3)9-10(8)4/h4-9H,1-3H3;8H,5-7H2,1-4H3;6-8H,1-5H3;7H,5-6H2,1-4H3;5,7H,6H2,1-4H3;3*6H,5H2,1-4H3;5-6H,1-4H3;4-5H,1-3H3;4H,1-3H3;5-6H,1-4H3
InChIKeyJBFNBMFOBWXGAE-UHFFFAOYSA-N
MW1893.77 g/mol
LogP32.80
Rot. Bonds17

About 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole

3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 158865883) has the molecular formula C113H179F6N15O2 and a molecular weight of 1893.77 g/mol. Its IUPAC name is 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID158865883
Molecular FormulaC113H179F6N15O2
Molecular Weight1893.77 g/mol
Exact Mass1892.43
IUPAC Name3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C.CC1=CCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CCC1=NCC(C)=C1C(C)C.CCC1=NCC(CC)=C1C(C)C.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1coc(C)c1C(C)C.Cc1noc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C12H15N3.C11H19N.C10H18N2.C10H17N.C10H16.3C9H15N.C9H14O.C8H11F3N2.C8H10F3NO.C8H14N2/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5-9-10(7(2)3)8(4)6-11-9;1-7(2)10-8(3)5-6-9(10)4;4*1-6(2)9-7(3)5-10-8(9)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-4(2)6-5(3)12-13-7(6)8(9,10)11;1-6(2)8-5-7(3)9-10(8)4/h4-9H,1-3H3;8H,5-7H2,1-4H3;6-8H,1-5H3;7H,5-6H2,1-4H3;5,7H,6H2,1-4H3;3*6H,5H2,1-4H3;5-6H,1-4H3;4-5H,1-3H3;4H,1-3H3;5-6H,1-4H3
InChIKeyJBFNBMFOBWXGAE-UHFFFAOYSA-N
XLogP32.80
TPSA185.14 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.77
LogP ≤ 532.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole with MolForge

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Launch Full Analysis

Related Compounds

1,4-Dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2,4-dimethylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 157231932
1,4-Dimethylpyrazole;1-ethyl-4-methylpyrazole;5-fluoro-2-methoxy-4-methylpyridine;3-methyl-1,2-oxazole;2-(4-methylpyrazol-1-yl)acetonitrile;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 157689049
3,5-diethyl-4-propan-2-yl-2H-pyrrole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 161289315
3,5-diethyl-4-propan-2-yl-2H-pyrrole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-yl-1H-pyrrole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
CID 167662863
2,3-Ditert-butylfuran;4,5-ditert-butyl-1-methylpyrazole;4,5-ditert-butyl-1,2-oxazole;2,3-ditert-butylpyridine;4,5-ditert-butyl-1,2-thiazole
CID 158113191
Tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)
CID 161211259
2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 162238165
Bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
CID 165047373

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 158865883) is 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1C.CC1=CCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CC1=NCC(C)=C1C(C)C.CCC1=NCC(C)=C1C(C)C.CCC1=NCC(CC)=C1C(C)C.Cc1cc(C(C)C)n(-c2ccncc2)n1.Cc1cc(C(C)C)n(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1coc(C)c1C(C)C.Cc1noc(C(F)(F)F)c1C(C)C.
What is the InChIKey of 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is JBFNBMFOBWXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C11H19N.C10H18N2.C10H17N.C10H16.3C9H15N.C9H14O.C8H11F3N2.C8H10F3NO.C8H14N2/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-5-9-10(7(2)3)8(4)6-11-9;1-7(2)10-8(3)5-6-9(10)4;4*1-6(2)9-7(3)5-10-8(9)4;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-4(2)6-5(3)12-13-7(6)8(9,10)11;1-6(2)8-5-7(3)9-10(8)4/h4-9H,1-3H3;8H,5-7H2,1-4H3;6-8H,1-5H3;7H,5-6H2,1-4H3;5,7H,6H2,1-4H3;3*6H,5H2,1-4H3;5-6H,1-4H3;4-5H,1-3H3;4H,1-3H3;5-6H,1-4H3.
What are the key properties of 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 1893.77 g/mol, XLogP of 32.80, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 158865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).