2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid

C12H11FN2O3 — CID 117234298

IUPAC2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C12H11FN2O3/c13-10-3-1-2-9(4-10)8-18-11-5-14-15(6-11)7-12(16)17/h1-6H,7-8H2,(H,16,17)
InChIKeyYASCDDLJXPHVEY-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.69
Rot. Bonds5

About 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid

2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid (PubChem CID 117234298) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
PubChem CID117234298
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C12H11FN2O3/c13-10-3-1-2-9(4-10)8-18-11-5-14-15(6-11)7-12(16)17/h1-6H,7-8H2,(H,16,17)
InChIKeyYASCDDLJXPHVEY-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
CID 117234296
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
1-cyclopentyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234033
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523
2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276
2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
CID 91636359
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid (CID 117234298) is 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(OCc2cccc(F)c2)cn1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid?
The InChIKey is YASCDDLJXPHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-10-3-1-2-9(4-10)8-18-11-5-14-15(6-11)7-12(16)17/h1-6H,7-8H2,(H,16,17).
What are the key properties of 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid?
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 117234298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).