2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H22BrN5 — CID 105160975

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H22BrN5/c1-8-13(10(3)19(5)17-8)11(16-4)7-12-14(15)9(2)18-20(12)6/h11,16H,7H2,1-6H3
InChIKeyHHKWGBWGLVYKBY-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105160975) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105160975
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)c1c(C)nn(C)c1C
InChIInChI=1S/C14H22BrN5/c1-8-13(10(3)19(5)17-8)11(16-4)7-12-14(15)9(2)18-20(12)6/h11,16H,7H2,1-6H3
InChIKeyHHKWGBWGLVYKBY-UHFFFAOYSA-N
XLogP2.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105000387
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CID 105161053
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81492694
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 105000198
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105137555
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
CID 105000170
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105160975) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CNC(Cc1c(Br)c(C)nn1C)c1c(C)nn(C)c1C.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is HHKWGBWGLVYKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-8-13(10(3)19(5)17-8)11(16-4)7-12-14(15)9(2)18-20(12)6/h11,16H,7H2,1-6H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 340.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105160975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).