5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole

C11H10ClFN2 — CID 66015719

IUPAC5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
SMILESCc1cc(Cl)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C11H10ClFN2/c1-7-5-9(13)3-4-10(7)15-11(12)6-8(2)14-15/h3-6H,1-2H3
InChIKeyZSLAISRKQUJXBN-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.28
Rot. Bonds1

About 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole

5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole (PubChem CID 66015719) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
PubChem CID66015719
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
SMILESCc1cc(Cl)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C11H10ClFN2/c1-7-5-9(13)3-4-10(7)15-11(12)6-8(2)14-15/h3-6H,1-2H3
InChIKeyZSLAISRKQUJXBN-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole?
The IUPAC name of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole (CID 66015719) is 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole.
What is the SMILES notation for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole?
The canonical SMILES for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole is Cc1cc(Cl)n(-c2ccc(F)cc2C)n1.
What is the InChIKey of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole?
The InChIKey is ZSLAISRKQUJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-7-5-9(13)3-4-10(7)15-11(12)6-8(2)14-15/h3-6H,1-2H3.
What are the key properties of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole?
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole is sourced from PubChem (CID 66015719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).