1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole

C13H15FN2O — CID 58765046

IUPAC1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
SMILESCCn1ncc(C)c1OCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-16-13(10(2)8-15-16)17-9-11-4-6-12(14)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyWOTMXAFEIMTLOO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.93
Rot. Bonds4

About 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole

1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole (PubChem CID 58765046) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
PubChem CID58765046
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
SMILESCCn1ncc(C)c1OCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-16-13(10(2)8-15-16)17-9-11-4-6-12(14)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyWOTMXAFEIMTLOO-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 13373245
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
CID 46398734
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole?
The IUPAC name of 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole (CID 58765046) is 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole.
What is the SMILES notation for 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole?
The canonical SMILES for 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole is CCn1ncc(C)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole?
The InChIKey is WOTMXAFEIMTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16-13(10(2)8-15-16)17-9-11-4-6-12(14)7-5-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole?
1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole has a molecular weight of 234.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole is sourced from PubChem (CID 58765046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).