1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole

C55H108N14 — CID 157285120

IUPAC1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cnn(C)c1.Cn1cccc1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/C6H9N.4C5H8N2.C5H7N.2C4H6N2.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;8*1-2/h3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3;8*1-2H3
InChIKeyBADFKOVWFZXRPX-UHFFFAOYSA-N
MW965.57 g/mol
LogP14.32
Rot. Bonds

About 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole

1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole (PubChem CID 157285120) has the molecular formula C55H108N14 and a molecular weight of 965.57 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole.

Molecular Properties

Compound Name1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole
PubChem CID157285120
Molecular FormulaC55H108N14
Molecular Weight965.57 g/mol
Exact Mass964.89
IUPAC Name1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cnn(C)c1.Cn1cccc1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/C6H9N.4C5H8N2.C5H7N.2C4H6N2.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;8*1-2/h3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3;8*1-2H3
InChIKeyBADFKOVWFZXRPX-UHFFFAOYSA-N
XLogP14.32
TPSA116.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.57
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole?
The IUPAC name of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole (CID 157285120) is 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole.
What is the SMILES notation for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole?
The canonical SMILES for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cnn(C)c1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.
What is the InChIKey of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole?
The InChIKey is BADFKOVWFZXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.4C5H8N2.C5H7N.2C4H6N2.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;8*1-2/h3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3;8*1-2H3.
What are the key properties of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole?
1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole has a molecular weight of 965.57 g/mol, XLogP of 14.32, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole is sourced from PubChem (CID 157285120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).