N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine

C9H16BrN3 — CID 103015253

IUPACN-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCN(CCBr)CCc1ccnn1C
InChIInChI=1S/C9H16BrN3/c1-12(8-5-10)7-4-9-3-6-11-13(9)2/h3,6H,4-5,7-8H2,1-2H3
InChIKeyKFVFWHUZHUIUHB-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.29
Rot. Bonds5

About N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine

N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 103015253) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID103015253
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC NameN-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCN(CCBr)CCc1ccnn1C
InChIInChI=1S/C9H16BrN3/c1-12(8-5-10)7-4-9-3-6-11-13(9)2/h3,6H,4-5,7-8H2,1-2H3
InChIKeyKFVFWHUZHUIUHB-UHFFFAOYSA-N
XLogP1.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 107488259
3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015326
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
CID 103003029
5-(bromomethyl)-1-methylpyrazole
CID 59589503
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine (CID 103015253) is N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine is CN(CCBr)CCc1ccnn1C.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is KFVFWHUZHUIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-12(8-5-10)7-4-9-3-6-11-13(9)2/h3,6H,4-5,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine?
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 246.15 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).