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

C11H20BrN3 — CID 103015326

IUPAC3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCN(CCCBr)CCc1ccnn1C
InChIInChI=1S/C11H20BrN3/c1-3-15(9-4-7-12)10-6-11-5-8-13-14(11)2/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyHNXBRERHZGOBJR-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.07
Rot. Bonds7

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

3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 103015326) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID103015326
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCN(CCCBr)CCc1ccnn1C
InChIInChI=1S/C11H20BrN3/c1-3-15(9-4-7-12)10-6-11-5-8-13-14(11)2/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyHNXBRERHZGOBJR-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

2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103005291
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 107488259
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
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
5-(bromomethyl)-1-methylpyrazole
CID 59589503
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616829
N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 103005268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 103015326) is 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCN(CCCBr)CCc1ccnn1C.
What is the InChIKey of 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is HNXBRERHZGOBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-3-15(9-4-7-12)10-6-11-5-8-13-14(11)2/h5,8H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
3-bromo-N-ethyl-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 3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103015326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).