2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate

C8H12BrN3O2 — CID 86799230

IUPAC2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1cc(Br)cn1
InChIInChI=1S/C8H12BrN3O2/c1-11(2)8(13)14-4-3-12-6-7(9)5-10-12/h5-6H,3-4H2,1-2H3
InChIKeyYJXIUZHIJRKUHN-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate

2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate (PubChem CID 86799230) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate
PubChem CID86799230
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1cc(Br)cn1
InChIInChI=1S/C8H12BrN3O2/c1-11(2)8(13)14-4-3-12-6-7(9)5-10-12/h5-6H,3-4H2,1-2H3
InChIKeyYJXIUZHIJRKUHN-UHFFFAOYSA-N
XLogP1.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate (CID 86799230) is 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate?
The InChIKey is YJXIUZHIJRKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-11(2)8(13)14-4-3-12-6-7(9)5-10-12/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate?
2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate has a molecular weight of 262.11 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 86799230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).