2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid

C12H11FN2O3 — CID 107675415

IUPAC2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
SMILESCn1cc(COc2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C12H11FN2O3/c1-15-6-8(5-14-15)7-18-9-2-3-10(12(16)17)11(13)4-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyBXOWLUXJAPGGKI-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.84
Rot. Bonds4

About 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid

2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid (PubChem CID 107675415) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
PubChem CID107675415
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
SMILESCn1cc(COc2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C12H11FN2O3/c1-15-6-8(5-14-15)7-18-9-2-3-10(12(16)17)11(13)4-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyBXOWLUXJAPGGKI-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113232754
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
5-[(4-acetyl-3-fluorophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107714417
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 107795953
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 175623102
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid (CID 107675415) is 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid is Cn1cc(COc2ccc(C(=O)O)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid?
The InChIKey is BXOWLUXJAPGGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-15-6-8(5-14-15)7-18-9-2-3-10(12(16)17)11(13)4-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid?
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 107675415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).