1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine

C18H20BrN3 — CID 21494258

IUPAC1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)n1nc(-c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H20BrN3/c1-4-17(21(2)3)22-16-11-10-14(19)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3
InChIKeyFWXQFQIIOBUZQK-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.94
Rot. Bonds4

About 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine

1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 21494258) has the molecular formula C18H20BrN3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID21494258
Molecular FormulaC18H20BrN3
Molecular Weight358.28 g/mol
Exact Mass357.08
IUPAC Name1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)n1nc(-c2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C18H20BrN3/c1-4-17(21(2)3)22-16-11-10-14(19)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3
InChIKeyFWXQFQIIOBUZQK-UHFFFAOYSA-N
XLogP4.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine (CID 21494258) is 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine is CCC(N(C)C)n1nc(-c2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is FWXQFQIIOBUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3/c1-4-17(21(2)3)22-16-11-10-14(19)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine?
1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 358.28 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 21494258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).