2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine

C21H25N5 — CID 31135428

IUPAC2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1
InChIInChI=1S/C21H25N5/c1-16-15-22-17(2)21(23-16)19-7-5-6-18(14-19)20-8-11-26(24-20)13-12-25-9-3-4-10-25/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3
InChIKeyPTTMUWZCYNOKSV-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.72
Rot. Bonds5

About 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine

2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 31135428) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID31135428
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1
InChIInChI=1S/C21H25N5/c1-16-15-22-17(2)21(23-16)19-7-5-6-18(14-19)20-8-11-26(24-20)13-12-25-9-3-4-10-25/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3
InChIKeyPTTMUWZCYNOKSV-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine (CID 31135428) is 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is Cc1cnc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1.
What is the InChIKey of 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is PTTMUWZCYNOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-15-22-17(2)21(23-16)19-7-5-6-18(14-19)20-8-11-26(24-20)13-12-25-9-3-4-10-25/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine?
2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 347.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 31135428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).