1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole

C13H15FN2O — CID 114279121

IUPAC1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCOc2ccc(C)c(F)c2)c1
InChIInChI=1S/C13H15FN2O/c1-10-8-15-16(9-10)5-6-17-12-4-3-11(2)13(14)7-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyAKSVPBODLWZZNE-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.72
Rot. Bonds4

About 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole

1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole (PubChem CID 114279121) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
PubChem CID114279121
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCOc2ccc(C)c(F)c2)c1
InChIInChI=1S/C13H15FN2O/c1-10-8-15-16(9-10)5-6-17-12-4-3-11(2)13(14)7-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyAKSVPBODLWZZNE-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole (CID 114279121) is 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole is Cc1cnn(CCOc2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole?
The InChIKey is AKSVPBODLWZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10-8-15-16(9-10)5-6-17-12-4-3-11(2)13(14)7-12/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole?
1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole has a molecular weight of 234.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole is sourced from PubChem (CID 114279121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).