2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine

C22H27N5 — CID 45203148

IUPAC2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(CCC4CCCN4C)n3)c2)n1
InChIInChI=1S/C22H27N5/c1-16-15-23-17(2)22(24-16)19-7-4-6-18(14-19)21-10-13-27(25-21)12-9-20-8-5-11-26(20)3/h4,6-7,10,13-15,20H,5,8-9,11-12H2,1-3H3
InChIKeyCLJKDCXJYJIKAA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.11
Rot. Bonds5

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

2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine (PubChem CID 45203148) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
PubChem CID45203148
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(CCC4CCCN4C)n3)c2)n1
InChIInChI=1S/C22H27N5/c1-16-15-23-17(2)22(24-16)19-7-4-6-18(14-19)21-10-13-27(25-21)12-9-20-8-5-11-26(20)3/h4,6-7,10,13-15,20H,5,8-9,11-12H2,1-3H3
InChIKeyCLJKDCXJYJIKAA-UHFFFAOYSA-N
XLogP4.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.11
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-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine (CID 45203148) is 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine is Cc1cnc(C)c(-c2cccc(-c3ccn(CCC4CCCN4C)n3)c2)n1.
What is the InChIKey of 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is CLJKDCXJYJIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-15-23-17(2)22(24-16)19-7-4-6-18(14-19)21-10-13-27(25-21)12-9-20-8-5-11-26(20)3/h4,6-7,10,13-15,20H,5,8-9,11-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 361.49 g/mol, XLogP of 4.11, 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-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 45203148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).