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

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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).