1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole

C13H15FN2O2 — CID 102879432

IUPAC1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole
SMILESCCn1cc(OCc2ccc(OC)cc2F)cn1
InChIInChI=1S/C13H15FN2O2/c1-3-16-8-12(7-15-16)18-9-10-4-5-11(17-2)6-13(10)14/h4-8H,3,9H2,1-2H3
InChIKeyNDAARGZFXASSAT-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.63
Rot. Bonds5

About 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole

1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole (PubChem CID 102879432) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole
PubChem CID102879432
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole
SMILESCCn1cc(OCc2ccc(OC)cc2F)cn1
InChIInChI=1S/C13H15FN2O2/c1-3-16-8-12(7-15-16)18-9-10-4-5-11(17-2)6-13(10)14/h4-8H,3,9H2,1-2H3
InChIKeyNDAARGZFXASSAT-UHFFFAOYSA-N
XLogP2.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole (CID 102879432) is 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole is CCn1cc(OCc2ccc(OC)cc2F)cn1.
What is the InChIKey of 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole?
The InChIKey is NDAARGZFXASSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-16-8-12(7-15-16)18-9-10-4-5-11(17-2)6-13(10)14/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole?
1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole has a molecular weight of 250.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole is sourced from PubChem (CID 102879432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).