5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole

C11H10ClFN2 — CID 66020792

IUPAC5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
SMILESCCc1cc(Cl)n(-c2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN2/c1-2-9-7-11(12)15(14-9)10-5-3-4-8(13)6-10/h3-7H,2H2,1H3
InChIKeyZPHDRMKKCSVJFH-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole

5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole (PubChem CID 66020792) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
PubChem CID66020792
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
SMILESCCc1cc(Cl)n(-c2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN2/c1-2-9-7-11(12)15(14-9)10-5-3-4-8(13)6-10/h3-7H,2H2,1H3
InChIKeyZPHDRMKKCSVJFH-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole (CID 66020792) is 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole is CCc1cc(Cl)n(-c2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole?
The InChIKey is ZPHDRMKKCSVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-2-9-7-11(12)15(14-9)10-5-3-4-8(13)6-10/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole?
5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 66020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).