3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole

C13H15FN2O — CID 171826048

IUPAC3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole
SMILESCc1cc(Oc2nn(C)c(C)c2C)ccc1F
InChIInChI=1S/C13H15FN2O/c1-8-7-11(5-6-12(8)14)17-13-9(2)10(3)16(4)15-13/h5-7H,1-4H3
InChIKeyBRFGHOAPHIFHAD-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole

3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole (PubChem CID 171826048) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole
PubChem CID171826048
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole
SMILESCc1cc(Oc2nn(C)c(C)c2C)ccc1F
InChIInChI=1S/C13H15FN2O/c1-8-7-11(5-6-12(8)14)17-13-9(2)10(3)16(4)15-13/h5-7H,1-4H3
InChIKeyBRFGHOAPHIFHAD-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
CID 104844164
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
4-(4-fluoro-3-methylphenoxy)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133376791
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
CID 176946353
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole
CID 42629173
2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 116797983
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole?
The IUPAC name of 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole (CID 171826048) is 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole is Cc1cc(Oc2nn(C)c(C)c2C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole?
The InChIKey is BRFGHOAPHIFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-7-11(5-6-12(8)14)17-13-9(2)10(3)16(4)15-13/h5-7H,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole?
3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole has a molecular weight of 234.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole is sourced from PubChem (CID 171826048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).