1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

C11H21BrN4 — CID 114659492

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1c(Br)cnn1C
InChIInChI=1S/C11H21BrN4/c1-5-13-10(6-7-15(2)3)11-9(12)8-14-16(11)4/h8,10,13H,5-7H2,1-4H3
InChIKeyUMRBOUFPWICUMT-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.78
Rot. Bonds6

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114659492) has the molecular formula C11H21BrN4 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID114659492
Molecular FormulaC11H21BrN4
Molecular Weight289.22 g/mol
Exact Mass288.09
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1c(Br)cnn1C
InChIInChI=1S/C11H21BrN4/c1-5-13-10(6-7-15(2)3)11-9(12)8-14-16(11)4/h8,10,13H,5-7H2,1-4H3
InChIKeyUMRBOUFPWICUMT-UHFFFAOYSA-N
XLogP1.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-methylsulfonylethanamine
CID 105054166
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 114657146
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
1-(4-bromo-1-methylpyrazol-5-yl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656911
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 114649449
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105189704

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (CID 114659492) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is CCNC(CCN(C)C)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is UMRBOUFPWICUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4/c1-5-13-10(6-7-15(2)3)11-9(12)8-14-16(11)4/h8,10,13H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 289.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114659492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).