2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine

C19H18N6 — CID 165414963

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
SMILESCn1cc(-c2ccccc2)nc1CCc1cncc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H18N6/c1-25-13-18(14-5-3-2-4-6-14)23-19(25)8-7-15-11-20-12-17(22-15)16-9-10-21-24-16/h2-6,9-13H,7-8H2,1H3,(H,21,24)
InChIKeyKPHOYWVSDIITFC-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.05
Rot. Bonds5

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine (PubChem CID 165414963) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
PubChem CID165414963
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
SMILESCn1cc(-c2ccccc2)nc1CCc1cncc(-c2ccn[nH]2)n1
InChIInChI=1S/C19H18N6/c1-25-13-18(14-5-3-2-4-6-14)23-19(25)8-7-15-11-20-12-17(22-15)16-9-10-21-24-16/h2-6,9-13H,7-8H2,1H3,(H,21,24)
InChIKeyKPHOYWVSDIITFC-UHFFFAOYSA-N
XLogP3.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine (CID 165414963) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine is Cn1cc(-c2ccccc2)nc1CCc1cncc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine?
The InChIKey is KPHOYWVSDIITFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-25-13-18(14-5-3-2-4-6-14)23-19(25)8-7-15-11-20-12-17(22-15)16-9-10-21-24-16/h2-6,9-13H,7-8H2,1H3,(H,21,24).
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine has a molecular weight of 330.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine is sourced from PubChem (CID 165414963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).