4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole

C11H18ClFN2 — CID 82698898

IUPAC4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1C(C)Cl
InChIInChI=1S/C11H18ClFN2/c1-4-9-11(8(3)12)10(5-2)15(14-9)7-6-13/h8H,4-7H2,1-3H3
InChIKeyHEKRDMROOPHWGD-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.28
Rot. Bonds5

About 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole

4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (PubChem CID 82698898) has the molecular formula C11H18ClFN2 and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
PubChem CID82698898
Molecular FormulaC11H18ClFN2
Molecular Weight232.73 g/mol
Exact Mass232.11
IUPAC Name4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1C(C)Cl
InChIInChI=1S/C11H18ClFN2/c1-4-9-11(8(3)12)10(5-2)15(14-9)7-6-13/h8H,4-7H2,1-3H3
InChIKeyHEKRDMROOPHWGD-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.28
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 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The IUPAC name of 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (CID 82698898) is 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole is CCc1nn(CCF)c(CC)c1C(C)Cl.
What is the InChIKey of 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The InChIKey is HEKRDMROOPHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClFN2/c1-4-9-11(8(3)12)10(5-2)15(14-9)7-6-13/h8H,4-7H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole has a molecular weight of 232.73 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 82698898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).