2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol

C14H18BrN3O — CID 111113292

IUPAC2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol
SMILESOCCN(CCn1cc(Br)cn1)Cc1ccccc1
InChIInChI=1S/C14H18BrN3O/c15-14-10-16-18(12-14)7-6-17(8-9-19)11-13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2
InChIKeyNFMZGHHUERFAEI-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.14
Rot. Bonds7

About 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol

2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol (PubChem CID 111113292) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol
PubChem CID111113292
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol
SMILESOCCN(CCn1cc(Br)cn1)Cc1ccccc1
InChIInChI=1S/C14H18BrN3O/c15-14-10-16-18(12-14)7-6-17(8-9-19)11-13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2
InChIKeyNFMZGHHUERFAEI-UHFFFAOYSA-N
XLogP2.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol (CID 111113292) is 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol is OCCN(CCn1cc(Br)cn1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol?
The InChIKey is NFMZGHHUERFAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-14-10-16-18(12-14)7-6-17(8-9-19)11-13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2.
What are the key properties of 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol?
2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 111113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).