N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C11H20BrN3 — CID 103015265

IUPACN-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCBr)CCc1ccnn1C
InChIInChI=1S/C11H20BrN3/c1-3-8-15(10-6-12)9-5-11-4-7-13-14(11)2/h4,7H,3,5-6,8-10H2,1-2H3
InChIKeyQUZLYMCUPNQGMB-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.07
Rot. Bonds7

About N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 103015265) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID103015265
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC NameN-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCBr)CCc1ccnn1C
InChIInChI=1S/C11H20BrN3/c1-3-8-15(10-6-12)9-5-11-4-7-13-14(11)2/h4,7H,3,5-6,8-10H2,1-2H3
InChIKeyQUZLYMCUPNQGMB-UHFFFAOYSA-N
XLogP2.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.07
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-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
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
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103005291
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-[3-(bromomethyl)-3-ethylheptyl]-1-methylpyrazole
CID 103018409
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
2-[(4-bromothiophen-2-yl)methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 119051947
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 103015265) is N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCN(CCBr)CCc1ccnn1C.
What is the InChIKey of N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is QUZLYMCUPNQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-3-8-15(10-6-12)9-5-11-4-7-13-14(11)2/h4,7H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103015265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).