2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine

C20H20N6 — CID 56880487

IUPAC2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine
SMILESCc1cc(C)c(-n2cccn2)c(-c2nccn2CCc2cnccn2)c1
InChIInChI=1S/C20H20N6/c1-15-12-16(2)19(26-9-3-5-24-26)18(13-15)20-23-8-11-25(20)10-4-17-14-21-6-7-22-17/h3,5-9,11-14H,4,10H2,1-2H3
InChIKeyQCGMWFYFGHHKGN-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.39
Rot. Bonds5

About 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine

2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine (PubChem CID 56880487) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine
PubChem CID56880487
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine
SMILESCc1cc(C)c(-n2cccn2)c(-c2nccn2CCc2cnccn2)c1
InChIInChI=1S/C20H20N6/c1-15-12-16(2)19(26-9-3-5-24-26)18(13-15)20-23-8-11-25(20)10-4-17-14-21-6-7-22-17/h3,5-9,11-14H,4,10H2,1-2H3
InChIKeyQCGMWFYFGHHKGN-UHFFFAOYSA-N
XLogP3.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146038672
(3S,4R)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134710680
2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
CID 50976236
2-methyl-4-[2-(2-methyl-4-pyrazol-1-ylphenyl)imidazol-1-yl]butan-2-ol
CID 146040453
2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine
CID 71973938
3-chloro-N-(pyrazin-2-ylmethyl)-2-pyrazol-1-ylaniline
CID 62761834
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
CID 146039872
2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953709
3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide
CID 136553112
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
2-(2-methylsulfonylethyl)pyrazine
CID 102287651

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine?
The IUPAC name of 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine (CID 56880487) is 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine.
What is the SMILES notation for 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine?
The canonical SMILES for 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine is Cc1cc(C)c(-n2cccn2)c(-c2nccn2CCc2cnccn2)c1.
What is the InChIKey of 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine?
The InChIKey is QCGMWFYFGHHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-15-12-16(2)19(26-9-3-5-24-26)18(13-15)20-23-8-11-25(20)10-4-17-14-21-6-7-22-17/h3,5-9,11-14H,4,10H2,1-2H3.
What are the key properties of 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine?
2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine has a molecular weight of 344.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine is sourced from PubChem (CID 56880487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).