2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid

C12H11FN2O3 — CID 82297374

IUPAC2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(F)cc1-c1[nH]ncc1CC(=O)O
InChIInChI=1S/C12H11FN2O3/c1-18-10-3-2-8(13)5-9(10)12-7(4-11(16)17)6-14-15-12/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRYNQXDAJKAPJIE-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.85
Rot. Bonds4

About 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid

2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82297374) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82297374
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(F)cc1-c1[nH]ncc1CC(=O)O
InChIInChI=1S/C12H11FN2O3/c1-18-10-3-2-8(13)5-9(10)12-7(4-11(16)17)6-14-15-12/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRYNQXDAJKAPJIE-UHFFFAOYSA-N
XLogP1.85
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82301593
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
2-[2-(5-fluoro-2-methoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4009632
2-(5-fluoro-2-iodooxyphenyl)acetic acid
CID 174319514
5-(5-fluoro-2-methoxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 116824039
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
CID 39222259
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid (CID 82297374) is 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid is COc1ccc(F)cc1-c1[nH]ncc1CC(=O)O.
What is the InChIKey of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is RYNQXDAJKAPJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-10-3-2-8(13)5-9(10)12-7(4-11(16)17)6-14-15-12/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82297374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).