1-(2-bromoethyl)-4-chloropyrazole

C5H6BrClN2 — CID 4711796

IUPAC1-(2-bromoethyl)-4-chloropyrazole
SMILESClc1cnn(CCBr)c1
InChIInChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
InChIKeyJWVGNGVIZSRTHN-UHFFFAOYSA-N
MW209.47 g/mol
LogP1.93
Rot. Bonds2

About 1-(2-bromoethyl)-4-chloropyrazole

1-(2-bromoethyl)-4-chloropyrazole (PubChem CID 4711796) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-chloropyrazole.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-chloropyrazole
PubChem CID4711796
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name1-(2-bromoethyl)-4-chloropyrazole
SMILESClc1cnn(CCBr)c1
InChIInChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
InChIKeyJWVGNGVIZSRTHN-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazole, 4-bromo-1-methyl-
CID 167433
1-(2-bromoethyl)-1H-pyrazole
CID 642215
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
4-Bromo-1-vinyl-1H-pyrazole
CID 13498184
4-chloro-1-methyl-1H-pyrazole
CID 13844024
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
3-(4-chloro-1H-pyrazol-1-yl)propan-1-amine
CID 19619542
4-Bromo-1-(2-bromoethyl)-1H-pyrazole
CID 4712269
4-chloro-1-(chloromethyl)-1H-pyrazole
CID 7018550
2-(4-chloro-1H-pyrazol-1-yl)ethanamine
CID 7019315
2-(4-bromo-1H-pyrazol-1-yl)acetonitrile
CID 19620690
3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile
CID 23006136

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-chloropyrazole?
The IUPAC name of 1-(2-bromoethyl)-4-chloropyrazole (CID 4711796) is 1-(2-bromoethyl)-4-chloropyrazole.
What is the SMILES notation for 1-(2-bromoethyl)-4-chloropyrazole?
The canonical SMILES for 1-(2-bromoethyl)-4-chloropyrazole is Clc1cnn(CCBr)c1.
What is the InChIKey of 1-(2-bromoethyl)-4-chloropyrazole?
The InChIKey is JWVGNGVIZSRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2.
What are the key properties of 1-(2-bromoethyl)-4-chloropyrazole?
1-(2-bromoethyl)-4-chloropyrazole has a molecular weight of 209.47 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-chloropyrazole is sourced from PubChem (CID 4711796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).