1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine

C14H16BrN3O2 — CID 114655045

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
SMILESCNC(c1c(Br)cnn1C)C1COc2ccccc2O1
InChIInChI=1S/C14H16BrN3O2/c1-16-13(14-9(15)7-17-18(14)2)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12-13,16H,8H2,1-2H3
InChIKeyIHNYUENDFNDOKL-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine (PubChem CID 114655045) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
PubChem CID114655045
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
SMILESCNC(c1c(Br)cnn1C)C1COc2ccccc2O1
InChIInChI=1S/C14H16BrN3O2/c1-16-13(14-9(15)7-17-18(14)2)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12-13,16H,8H2,1-2H3
InChIKeyIHNYUENDFNDOKL-UHFFFAOYSA-N
XLogP2.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-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

N-[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]ethanamine
CID 114659991
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105189671
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
CID 80531468
N-[2,3-dihydro-1,4-benzodioxin-3-yl-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65351567
N-[(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CID 80532499
2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine (CID 114655045) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine is CNC(c1c(Br)cnn1C)C1COc2ccccc2O1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
The InChIKey is IHNYUENDFNDOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16-13(14-9(15)7-17-18(14)2)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12-13,16H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine has a molecular weight of 338.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 114655045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).