2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid

C12H12FN2O3P — CID 167064998

IUPAC2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid
SMILESCn1nc(OCC(=O)O)cc1-c1ccc(F)cc1P
InChIInChI=1S/C12H12FN2O3P/c1-15-9(5-11(14-15)18-6-12(16)17)8-3-2-7(13)4-10(8)19/h2-5H,6,19H2,1H3,(H,16,17)
InChIKeyFXQICUMFCHHGOC-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.19
Rot. Bonds4

About 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid

2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid (PubChem CID 167064998) has the molecular formula C12H12FN2O3P and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid
PubChem CID167064998
Molecular FormulaC12H12FN2O3P
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid
SMILESCn1nc(OCC(=O)O)cc1-c1ccc(F)cc1P
InChIInChI=1S/C12H12FN2O3P/c1-15-9(5-11(14-15)18-6-12(16)17)8-3-2-7(13)4-10(8)19/h2-5H,6,19H2,1H3,(H,16,17)
InChIKeyFXQICUMFCHHGOC-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic 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

methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
CID 167058186
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
CID 2801295
oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167065109
2-[[5-(2-chloro-4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetic acid
CID 167057450
methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289746
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
2-[5-fluoro-2-[5-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]acetic acid
CID 155988272
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
CID 11148327
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl] trifluoromethanesulfonate
CID 23571143
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[2-[5-(2-ethoxyphenyl)-1-(2-phenylethyl)pyrazol-3-yl]-5-fluorophenoxy]acetic acid
CID 110161590

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid?
The IUPAC name of 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid (CID 167064998) is 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid is Cn1nc(OCC(=O)O)cc1-c1ccc(F)cc1P.
What is the InChIKey of 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid?
The InChIKey is FXQICUMFCHHGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN2O3P/c1-15-9(5-11(14-15)18-6-12(16)17)8-3-2-7(13)4-10(8)19/h2-5H,6,19H2,1H3,(H,16,17).
What are the key properties of 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid?
2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid has a molecular weight of 282.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid is sourced from PubChem (CID 167064998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).