1-(2-chloroethyl)pyrazole

C5H7ClN2 — CID 642214

IUPAC1-(2-chloroethyl)pyrazole
SMILESClCCn1cccn1
InChIInChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKeyHUZHIOQELFFZBM-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.12
Rot. Bonds2

About 1-(2-chloroethyl)pyrazole

1-(2-chloroethyl)pyrazole (PubChem CID 642214) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 1-(2-chloroethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chloroethyl)pyrazole
PubChem CID642214
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name1-(2-chloroethyl)pyrazole
SMILESClCCn1cccn1
InChIInChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKeyHUZHIOQELFFZBM-UHFFFAOYSA-N
XLogP1.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)pyrazole?
The IUPAC name of 1-(2-chloroethyl)pyrazole (CID 642214) is 1-(2-chloroethyl)pyrazole.
What is the SMILES notation for 1-(2-chloroethyl)pyrazole?
The canonical SMILES for 1-(2-chloroethyl)pyrazole is ClCCn1cccn1.
What is the InChIKey of 1-(2-chloroethyl)pyrazole?
The InChIKey is HUZHIOQELFFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2.
What are the key properties of 1-(2-chloroethyl)pyrazole?
1-(2-chloroethyl)pyrazole has a molecular weight of 130.58 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)pyrazole is sourced from PubChem (CID 642214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).