5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole

C13H14ClFN2O — CID 64855395

IUPAC5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(F)c(OCc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClFN2O/c1-8-4-5-11(15)12(6-8)18-7-10-9(2)16-17(3)13(10)14/h4-6H,7H2,1-3H3
InChIKeyYTRWJLYKZSPNPE-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole

5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole (PubChem CID 64855395) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole
PubChem CID64855395
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(F)c(OCc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClFN2O/c1-8-4-5-11(15)12(6-8)18-7-10-9(2)16-17(3)13(10)14/h4-6H,7H2,1-3H3
InChIKeyYTRWJLYKZSPNPE-UHFFFAOYSA-N
XLogP3.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole (CID 64855395) is 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole is Cc1ccc(F)c(OCc2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole?
The InChIKey is YTRWJLYKZSPNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-4-5-11(15)12(6-8)18-7-10-9(2)16-17(3)13(10)14/h4-6H,7H2,1-3H3.
What are the key properties of 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole?
5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole has a molecular weight of 268.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 64855395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).