2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine

C20H23N5 — CID 31054173

IUPAC2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCCC3)n2)c1
InChIInChI=1S/C20H23N5/c1-2-10-24(11-3-1)13-14-25-12-7-19(23-25)17-5-4-6-18(15-17)20-16-21-8-9-22-20/h4-9,12,15-16H,1-3,10-11,13-14H2
InChIKeyFIGDJCYPYIMPLR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine

2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 31054173) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID31054173
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCCC3)n2)c1
InChIInChI=1S/C20H23N5/c1-2-10-24(11-3-1)13-14-25-12-7-19(23-25)17-5-4-6-18(15-17)20-16-21-8-9-22-20/h4-9,12,15-16H,1-3,10-11,13-14H2
InChIKeyFIGDJCYPYIMPLR-UHFFFAOYSA-N
XLogP3.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (CID 31054173) is 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is c1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCCC3)n2)c1.
What is the InChIKey of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is FIGDJCYPYIMPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-10-24(11-3-1)13-14-25-12-7-19(23-25)17-5-4-6-18(15-17)20-16-21-8-9-22-20/h4-9,12,15-16H,1-3,10-11,13-14H2.
What are the key properties of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 333.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 31054173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).