1,5-dimethylpyrazole;2,4-dimethylpyridine;methane

C13H21N3 — CID 167606075

IUPAC1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
SMILESC.Cc1ccnc(C)c1.Cc1ccnn1C
InChIInChI=1S/C7H9N.C5H8N2.CH4/c1-6-3-4-8-7(2)5-6;1-5-3-4-6-7(5)2;/h3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyKKADAOOHJRYTOD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds

About 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane

1,5-dimethylpyrazole;2,4-dimethylpyridine;methane (PubChem CID 167606075) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane.

Molecular Properties

Compound Name1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
PubChem CID167606075
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
SMILESC.Cc1ccnc(C)c1.Cc1ccnn1C
InChIInChI=1S/C7H9N.C5H8N2.CH4/c1-6-3-4-8-7(2)5-6;1-5-3-4-6-7(5)2;/h3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyKKADAOOHJRYTOD-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane?
The IUPAC name of 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane (CID 167606075) is 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane.
What is the SMILES notation for 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane?
The canonical SMILES for 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane is C.Cc1ccnc(C)c1.Cc1ccnn1C.
What is the InChIKey of 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane?
The InChIKey is KKADAOOHJRYTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H8N2.CH4/c1-6-3-4-8-7(2)5-6;1-5-3-4-6-7(5)2;/h3-5H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane?
1,5-dimethylpyrazole;2,4-dimethylpyridine;methane has a molecular weight of 219.33 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazole;2,4-dimethylpyridine;methane is sourced from PubChem (CID 167606075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).