2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

C19H19N5O2 — CID 73056237

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cn[nH]c4)cc3n2)cc(OC)c1
InChIInChI=1S/C19H19N5O2/c1-25-15-5-12(6-16(7-15)26-2)3-4-14-11-20-19-18(23-14)8-17(24-19)13-9-21-22-10-13/h5-11H,3-4H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQEBQJFRCGFWECH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73056237) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73056237
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cn[nH]c4)cc3n2)cc(OC)c1
InChIInChI=1S/C19H19N5O2/c1-25-15-5-12(6-16(7-15)26-2)3-4-14-11-20-19-18(23-14)8-17(24-19)13-9-21-22-10-13/h5-11H,3-4H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQEBQJFRCGFWECH-UHFFFAOYSA-N
XLogP3.15
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 73056237) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4cn[nH]c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is QEBQJFRCGFWECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-25-15-5-12(6-16(7-15)26-2)3-4-14-11-20-19-18(23-14)8-17(24-19)13-9-21-22-10-13/h5-11H,3-4H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 349.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73056237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).