4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole

C11H18ClFN2 — CID 82700219

IUPAC4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
SMILESCCc1nn(CCCF)c(CC)c1CCl
InChIInChI=1S/C11H18ClFN2/c1-3-10-9(8-12)11(4-2)15(14-10)7-5-6-13/h3-8H2,1-2H3
InChIKeyOPZXTGQRCUSRSZ-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.11
Rot. Bonds6

About 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole

4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole (PubChem CID 82700219) has the molecular formula C11H18ClFN2 and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
PubChem CID82700219
Molecular FormulaC11H18ClFN2
Molecular Weight232.73 g/mol
Exact Mass232.11
IUPAC Name4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
SMILESCCc1nn(CCCF)c(CC)c1CCl
InChIInChI=1S/C11H18ClFN2/c1-3-10-9(8-12)11(4-2)15(14-10)7-5-6-13/h3-8H2,1-2H3
InChIKeyOPZXTGQRCUSRSZ-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole 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 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole (CID 82700219) is 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole is CCc1nn(CCCF)c(CC)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
The InChIKey is OPZXTGQRCUSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClFN2/c1-3-10-9(8-12)11(4-2)15(14-10)7-5-6-13/h3-8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole?
4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole has a molecular weight of 232.73 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole is sourced from PubChem (CID 82700219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).