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

C13H15FN2O — CID 103792119

IUPAC4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
SMILESCc1cc(OCCc2cnn(C)c2)ccc1F
InChIInChI=1S/C13H15FN2O/c1-10-7-12(3-4-13(10)14)17-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOSWKIHHTGGASPH-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.49
Rot. Bonds4

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

4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole (PubChem CID 103792119) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
PubChem CID103792119
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
SMILESCc1cc(OCCc2cnn(C)c2)ccc1F
InChIInChI=1S/C13H15FN2O/c1-10-7-12(3-4-13(10)14)17-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOSWKIHHTGGASPH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
3-[2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012966
4-[2-[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]ethyl]-1-methylpyrazole
CID 103012916
4-[2-[4-(3-chloroprop-1-ynyl)-3-fluorophenoxy]ethyl]-1-methylpyrazole
CID 103012895
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole (CID 103792119) is 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole is Cc1cc(OCCc2cnn(C)c2)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole?
The InChIKey is OSWKIHHTGGASPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10-7-12(3-4-13(10)14)17-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole?
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole has a molecular weight of 234.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole is sourced from PubChem (CID 103792119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).