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

C18H15FN2O2 — CID 166637739

IUPAC2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C18H15FN2O2/c19-17-7-2-1-5-15(17)11-21-12-16(10-20-21)14-6-3-4-13(8-14)9-18(22)23/h1-8,10,12H,9,11H2,(H,22,23)
InChIKeyZWXQNPDFPHBNRB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.36
Rot. Bonds5

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

2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid (PubChem CID 166637739) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid
PubChem CID166637739
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C18H15FN2O2/c19-17-7-2-1-5-15(17)11-21-12-16(10-20-21)14-6-3-4-13(8-14)9-18(22)23/h1-8,10,12H,9,11H2,(H,22,23)
InChIKeyZWXQNPDFPHBNRB-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic 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

2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835887
[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62770083
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[3-[1-(1-methoxy-2-methyl-1-oxopropan-2-yl)pyrazol-4-yl]phenyl]acetic acid
CID 171364729
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
[1-[[4-(1-benzylpyrazol-4-yl)-2-fluorophenyl]methyl]-8-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67426060
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
3-ethoxy-2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]methyl]-3-oxopropanoic acid
CID 90922776
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid (CID 166637739) is 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cnn(Cc3ccccc3F)c2)c1.
What is the InChIKey of 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid?
The InChIKey is ZWXQNPDFPHBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-17-7-2-1-5-15(17)11-21-12-16(10-20-21)14-6-3-4-13(8-14)9-18(22)23/h1-8,10,12H,9,11H2,(H,22,23).
What are the key properties of 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid?
2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid has a molecular weight of 310.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid is sourced from PubChem (CID 166637739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).