1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine

C20H25N3 — CID 19994601

IUPAC1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
SMILESCCCCc1cccc(-c2nccn3c(CN(C)C)ccc23)c1
InChIInChI=1S/C20H25N3/c1-4-5-7-16-8-6-9-17(14-16)20-19-11-10-18(15-22(2)3)23(19)13-12-21-20/h6,8-14H,4-5,7,15H2,1-3H3
InChIKeyOSGCVGDDMFGUHI-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.41
Rot. Bonds6

About 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine

1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine (PubChem CID 19994601) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
PubChem CID19994601
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
SMILESCCCCc1cccc(-c2nccn3c(CN(C)C)ccc23)c1
InChIInChI=1S/C20H25N3/c1-4-5-7-16-8-6-9-17(14-16)20-19-11-10-18(15-22(2)3)23(19)13-12-21-20/h6,8-14H,4-5,7,15H2,1-3H3
InChIKeyOSGCVGDDMFGUHI-UHFFFAOYSA-N
XLogP4.41
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
CID 155602208
4-(3-butylphenyl)-2,6-dimethylphenol
CID 157070879
(3-butylphenyl)-dimethylphosphane
CID 59561058
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
4-butyl-N-ethyl-N-methylpyridin-2-amine
CID 142596545
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
1-[3-[8-(3-isoquinolin-1-ylphenyl)octyl]phenyl]isoquinoline
CID 140678792
3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran
CID 145051394

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine (CID 19994601) is 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine is CCCCc1cccc(-c2nccn3c(CN(C)C)ccc23)c1.
What is the InChIKey of 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is OSGCVGDDMFGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-4-5-7-16-8-6-9-17(14-16)20-19-11-10-18(15-22(2)3)23(19)13-12-21-20/h6,8-14H,4-5,7,15H2,1-3H3.
What are the key properties of 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine?
1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 307.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-butylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 19994601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).