1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine

C20H25N3S — CID 15662150

IUPAC1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
SMILESCCSc1cc2c(CCc3ccccc3)nccn2c1CN(C)C
InChIInChI=1S/C20H25N3S/c1-4-24-20-14-18-17(11-10-16-8-6-5-7-9-16)21-12-13-23(18)19(20)15-22(2)3/h5-9,12-14H,4,10-11,15H2,1-3H3
InChIKeyWSEJTWHSGWLEIH-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.29
Rot. Bonds7

About 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine

1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine (PubChem CID 15662150) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
PubChem CID15662150
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
SMILESCCSc1cc2c(CCc3ccccc3)nccn2c1CN(C)C
InChIInChI=1S/C20H25N3S/c1-4-24-20-14-18-17(11-10-16-8-6-5-7-9-16)21-12-13-23(18)19(20)15-22(2)3/h5-9,12-14H,4,10-11,15H2,1-3H3
InChIKeyWSEJTWHSGWLEIH-UHFFFAOYSA-N
XLogP4.29
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
CID 15662174
7-chloro-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
CID 15662063
6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
CID 15662103
N-benzyl-N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 39074569
4-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 158413024
1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
CID 19994601
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
2-[3-(2-ethylsulfanylphenyl)-4-fluorophenyl]-1-methylimidazole
CID 67981194
N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
CID 23723131
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
1-(2-benzyl-8-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 82223087
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520

Frequently Asked Questions

What is the IUPAC name of 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine (CID 15662150) is 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine is CCSc1cc2c(CCc3ccccc3)nccn2c1CN(C)C.
What is the InChIKey of 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is WSEJTWHSGWLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-4-24-20-14-18-17(11-10-16-8-6-5-7-9-16)21-12-13-23(18)19(20)15-22(2)3/h5-9,12-14H,4,10-11,15H2,1-3H3.
What are the key properties of 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 339.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15662150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).