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

C19H21N5 — CID 31015621

IUPAC2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCC3)n2)c1
InChIInChI=1S/C19H21N5/c1-2-10-23(9-1)12-13-24-11-6-18(22-24)16-4-3-5-17(14-16)19-15-20-7-8-21-19/h3-8,11,14-15H,1-2,9-10,12-13H2
InChIKeyIPAYYZMUOPLESO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.10
Rot. Bonds5

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

2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 31015621) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID31015621
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESc1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCC3)n2)c1
InChIInChI=1S/C19H21N5/c1-2-10-23(9-1)12-13-24-11-6-18(22-24)16-4-3-5-17(14-16)19-15-20-7-8-21-19/h3-8,11,14-15H,1-2,9-10,12-13H2
InChIKeyIPAYYZMUOPLESO-UHFFFAOYSA-N
XLogP3.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.10
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-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (CID 31015621) is 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is c1cc(-c2cnccn2)cc(-c2ccn(CCN3CCCC3)n2)c1.
What is the InChIKey of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is IPAYYZMUOPLESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-10-23(9-1)12-13-24-11-6-18(22-24)16-4-3-5-17(14-16)19-15-20-7-8-21-19/h3-8,11,14-15H,1-2,9-10,12-13H2.
What are the key properties of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 319.41 g/mol, XLogP of 3.10, 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-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 31015621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).