1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

C17H20ClF2N3 — CID 66733915

IUPAC1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCc1nc(Cl)c2n1CCNC2CCc1cc(F)c(C)c(F)c1
InChIInChI=1S/C17H20ClF2N3/c1-3-15-22-17(18)16-14(21-6-7-23(15)16)5-4-11-8-12(19)10(2)13(20)9-11/h8-9,14,21H,3-7H2,1-2H3
InChIKeyJKFVVJRBJPGHBK-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.96
Rot. Bonds4

About 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 66733915) has the molecular formula C17H20ClF2N3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID66733915
Molecular FormulaC17H20ClF2N3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCc1nc(Cl)c2n1CCNC2CCc1cc(F)c(C)c(F)c1
InChIInChI=1S/C17H20ClF2N3/c1-3-15-22-17(18)16-14(21-6-7-23(15)16)5-4-11-8-12(19)10(2)13(20)9-11/h8-9,14,21H,3-7H2,1-2H3
InChIKeyJKFVVJRBJPGHBK-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 66733915) is 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is CCc1nc(Cl)c2n1CCNC2CCc1cc(F)c(C)c(F)c1.
What is the InChIKey of 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is JKFVVJRBJPGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N3/c1-3-15-22-17(18)16-14(21-6-7-23(15)16)5-4-11-8-12(19)10(2)13(20)9-11/h8-9,14,21H,3-7H2,1-2H3.
What are the key properties of 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 339.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 66733915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).