4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole

C17H20N4 — CID 56752557

IUPAC4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(-c2nccn2Cc2cn(C)nc2C)cc1C
InChIInChI=1S/C17H20N4/c1-12-5-6-15(9-13(12)2)17-18-7-8-21(17)11-16-10-20(4)19-14(16)3/h5-10H,11H2,1-4H3
InChIKeyHPCYXQKOMPHYDP-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.26
Rot. Bonds3

About 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole

4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 56752557) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole
PubChem CID56752557
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(-c2nccn2Cc2cn(C)nc2C)cc1C
InChIInChI=1S/C17H20N4/c1-12-5-6-15(9-13(12)2)17-18-7-8-21(17)11-16-10-20(4)19-14(16)3/h5-10H,11H2,1-4H3
InChIKeyHPCYXQKOMPHYDP-UHFFFAOYSA-N
XLogP3.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 56752557) is 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole is Cc1ccc(-c2nccn2Cc2cn(C)nc2C)cc1C.
What is the InChIKey of 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole?
The InChIKey is HPCYXQKOMPHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-5-6-15(9-13(12)2)17-18-7-8-21(17)11-16-10-20(4)19-14(16)3/h5-10H,11H2,1-4H3.
What are the key properties of 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole?
4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 280.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenyl)imidazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 56752557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).