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

C21H25N5 — CID 30957575

IUPAC2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCCN3CCCCC3)n2)c1
InChIInChI=1S/C21H25N5/c1-2-11-25(12-3-1)13-5-14-26-15-8-20(24-26)18-6-4-7-19(16-18)21-17-22-9-10-23-21/h4,6-10,15-17H,1-3,5,11-14H2
InChIKeyHFRZTEKAMVVFRF-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.88
Rot. Bonds6

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

2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 30957575) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID30957575
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCCN3CCCCC3)n2)c1
InChIInChI=1S/C21H25N5/c1-2-11-25(12-3-1)13-5-14-26-15-8-20(24-26)18-6-4-7-19(16-18)21-17-22-9-10-23-21/h4,6-10,15-17H,1-3,5,11-14H2
InChIKeyHFRZTEKAMVVFRF-UHFFFAOYSA-N
XLogP3.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine (CID 30957575) is 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine is c1cc(-c2cnccn2)cc(-c2ccn(CCCN3CCCCC3)n2)c1.
What is the InChIKey of 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is HFRZTEKAMVVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-11-25(12-3-1)13-5-14-26-15-8-20(24-26)18-6-4-7-19(16-18)21-17-22-9-10-23-21/h4,6-10,15-17H,1-3,5,11-14H2.
What are the key properties of 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine?
2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 347.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-piperidin-1-ylpropyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 30957575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).