1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane

C22H43N5 — CID 158873973

IUPAC1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane
SMILESCC.CC.CC.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnn1C
InChIInChI=1S/C6H9N.2C5H8N2.3C2H6/c1-6-4-3-5-7(6)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;3*1-2/h3-5H,1-2H3;2*3-4H,1-2H3;3*1-2H3
InChIKeyJCEVBFFRAOZPSZ-UHFFFAOYSA-N
MW377.62 g/mol
LogP5.87
Rot. Bonds

About 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane

1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane (PubChem CID 158873973) has the molecular formula C22H43N5 and a molecular weight of 377.62 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane.

Molecular Properties

Compound Name1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane
PubChem CID158873973
Molecular FormulaC22H43N5
Molecular Weight377.62 g/mol
Exact Mass377.35
IUPAC Name1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane
SMILESCC.CC.CC.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnn1C
InChIInChI=1S/C6H9N.2C5H8N2.3C2H6/c1-6-4-3-5-7(6)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;3*1-2/h3-5H,1-2H3;2*3-4H,1-2H3;3*1-2H3
InChIKeyJCEVBFFRAOZPSZ-UHFFFAOYSA-N
XLogP5.87
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

chromium;1,3-dimethylpyrazole
CID 174318008
1,3-dimethylpyrazole;ethane;2-methylfuran
CID 142324709
1,3-dimethylpyrazole;pyridine
CID 174814756
butane;1,5-dimethylpyrazole;ethane
CID 142280941
1,3-dimethylpyrazole;1-iodopropane
CID 143211289
1,2-dimethylpyrrole;ethane;isocyanomethane
CID 91557342
1,3-dimethylpyrazole;phosphoric acid
CID 18388538
1,3-dimethylpyrazole;1,4-dimethylpyrazole
CID 160655475
1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
CID 167606075
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
1-iodo-3-methylpyrazole
CID 67613791

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane?
The IUPAC name of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane (CID 158873973) is 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane.
What is the SMILES notation for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane?
The canonical SMILES for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane is CC.CC.CC.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnn1C.
What is the InChIKey of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane?
The InChIKey is JCEVBFFRAOZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C5H8N2.3C2H6/c1-6-4-3-5-7(6)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;3*1-2/h3-5H,1-2H3;2*3-4H,1-2H3;3*1-2H3.
What are the key properties of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane?
1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane has a molecular weight of 377.62 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane is sourced from PubChem (CID 158873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).