1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

C15H16BrN3O — CID 105109370

IUPAC1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)c2cc3cccc(Br)c3o2)cn1
InChIInChI=1S/C15H16BrN3O/c1-3-19-9-11(8-18-19)14(17-2)13-7-10-5-4-6-12(16)15(10)20-13/h4-9,14,17H,3H2,1-2H3
InChIKeyPIPFTRMUBDPULN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.72
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 105109370) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID105109370
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)c2cc3cccc(Br)c3o2)cn1
InChIInChI=1S/C15H16BrN3O/c1-3-19-9-11(8-18-19)14(17-2)13-7-10-5-4-6-12(16)15(10)20-13/h4-9,14,17H,3H2,1-2H3
InChIKeyPIPFTRMUBDPULN-UHFFFAOYSA-N
XLogP3.72
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine 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

[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288494
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184686
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840358
N-[(3-bromo-2-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816300
1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 81492094
1-(3-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 55181977
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (CID 105109370) is 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(C(NC)c2cc3cccc(Br)c3o2)cn1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is PIPFTRMUBDPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-19-9-11(8-18-19)14(17-2)13-7-10-5-4-6-12(16)15(10)20-13/h4-9,14,17H,3H2,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 334.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105109370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).