5-(2-chloroethyl)-1-ethylpyrazole

C7H11ClN2 — CID 63974716

IUPAC5-(2-chloroethyl)-1-ethylpyrazole
SMILESCCn1nccc1CCCl
InChIInChI=1S/C7H11ClN2/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3,5H2,1H3
InChIKeyVGPBRGSCQLQISU-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.68
Rot. Bonds3

About 5-(2-chloroethyl)-1-ethylpyrazole

5-(2-chloroethyl)-1-ethylpyrazole (PubChem CID 63974716) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-(2-chloroethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-1-ethylpyrazole
PubChem CID63974716
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-(2-chloroethyl)-1-ethylpyrazole
SMILESCCn1nccc1CCCl
InChIInChI=1S/C7H11ClN2/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3,5H2,1H3
InChIKeyVGPBRGSCQLQISU-UHFFFAOYSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-1-ethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-1-ethylpyrazole?
The IUPAC name of 5-(2-chloroethyl)-1-ethylpyrazole (CID 63974716) is 5-(2-chloroethyl)-1-ethylpyrazole.
What is the SMILES notation for 5-(2-chloroethyl)-1-ethylpyrazole?
The canonical SMILES for 5-(2-chloroethyl)-1-ethylpyrazole is CCn1nccc1CCCl.
What is the InChIKey of 5-(2-chloroethyl)-1-ethylpyrazole?
The InChIKey is VGPBRGSCQLQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-(2-chloroethyl)-1-ethylpyrazole?
5-(2-chloroethyl)-1-ethylpyrazole has a molecular weight of 158.63 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-1-ethylpyrazole is sourced from PubChem (CID 63974716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).