1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C11H21BrN4 — CID 138030401

IUPAC1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1nn(C)cc1Br
InChIInChI=1S/C11H21BrN4/c1-11(2,15(3)4)8-13-6-10-9(12)7-16(5)14-10/h7,13H,6,8H2,1-5H3
InChIKeyZRSILDXMUGKYRM-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.61
Rot. Bonds5

About 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 138030401) has the molecular formula C11H21BrN4 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID138030401
Molecular FormulaC11H21BrN4
Molecular Weight289.22 g/mol
Exact Mass288.09
IUPAC Name1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1nn(C)cc1Br
InChIInChI=1S/C11H21BrN4/c1-11(2,15(3)4)8-13-6-10-9(12)7-16(5)14-10/h7,13H,6,8H2,1-5H3
InChIKeyZRSILDXMUGKYRM-UHFFFAOYSA-N
XLogP1.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine 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-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 138030401) is 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCc1nn(C)cc1Br.
What is the InChIKey of 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is ZRSILDXMUGKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4/c1-11(2,15(3)4)8-13-6-10-9(12)7-16(5)14-10/h7,13H,6,8H2,1-5H3.
What are the key properties of 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 289.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 138030401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).