2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid

C12H11FN2O3 — CID 115069042

IUPAC2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O3/c1-18-12-8(5-11(16)17)7-14-15(12)10-4-2-3-9(13)6-10/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyUELVSHBPKFHZQI-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid

2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid (PubChem CID 115069042) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
PubChem CID115069042
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O3/c1-18-12-8(5-11(16)17)7-14-15(12)10-4-2-3-9(13)6-10/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyUELVSHBPKFHZQI-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
CID 83896480
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
2-[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]acetic acid
CID 115069088
2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
CID 115069018
3-tert-butyl-1-(3-fluorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 117123975
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-[2-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 82485865
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
CID 66437510

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid (CID 115069042) is 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid is COc1c(CC(=O)O)cnn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid?
The InChIKey is UELVSHBPKFHZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-12-8(5-11(16)17)7-14-15(12)10-4-2-3-9(13)6-10/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid?
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid is sourced from PubChem (CID 115069042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).