1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole

C13H20N4 — CID 116621748

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole
SMILESCCc1cc(Cn2cnc(C)c2C)n(CC)n1
InChIInChI=1S/C13H20N4/c1-5-12-7-13(17(6-2)15-12)8-16-9-14-10(3)11(16)4/h7,9H,5-6,8H2,1-4H3
InChIKeyPOUSFOYEMWVYJJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds4

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole

1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole (PubChem CID 116621748) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole
PubChem CID116621748
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole
SMILESCCc1cc(Cn2cnc(C)c2C)n(CC)n1
InChIInChI=1S/C13H20N4/c1-5-12-7-13(17(6-2)15-12)8-16-9-14-10(3)11(16)4/h7,9H,5-6,8H2,1-4H3
InChIKeyPOUSFOYEMWVYJJ-UHFFFAOYSA-N
XLogP2.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole (CID 116621748) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole is CCc1cc(Cn2cnc(C)c2C)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole?
The InChIKey is POUSFOYEMWVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-5-12-7-13(17(6-2)15-12)8-16-9-14-10(3)11(16)4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole?
1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole has a molecular weight of 232.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 116621748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).