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

C10H16ClFN2 — CID 82700487

IUPAC4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1CCl
InChIInChI=1S/C10H16ClFN2/c1-3-9-8(7-11)10(4-2)14(13-9)6-5-12/h3-7H2,1-2H3
InChIKeyQIQTWQKZRBSCAF-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.72
Rot. Bonds5

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

4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (PubChem CID 82700487) has the molecular formula C10H16ClFN2 and a molecular weight of 218.70 g/mol. Its IUPAC name is 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
PubChem CID82700487
Molecular FormulaC10H16ClFN2
Molecular Weight218.70 g/mol
Exact Mass218.10
IUPAC Name4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
SMILESCCc1nn(CCF)c(CC)c1CCl
InChIInChI=1S/C10H16ClFN2/c1-3-9-8(7-11)10(4-2)14(13-9)6-5-12/h3-7H2,1-2H3
InChIKeyQIQTWQKZRBSCAF-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.72
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-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole (CID 82700487) is 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole is CCc1nn(CCF)c(CC)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
The InChIKey is QIQTWQKZRBSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN2/c1-3-9-8(7-11)10(4-2)14(13-9)6-5-12/h3-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole?
4-(chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole has a molecular weight of 218.70 g/mol, XLogP of 2.72, 5 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-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 82700487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).