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

C11H9FN2O2 — CID 82392813

IUPAC2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-5-9(13-14-10)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyYZXKHXAHBWPMHI-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.84
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid (PubChem CID 82392813) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
PubChem CID82392813
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-5-9(13-14-10)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyYZXKHXAHBWPMHI-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid (CID 82392813) is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid is O=C(O)Cc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid?
The InChIKey is YZXKHXAHBWPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-5-9(13-14-10)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid?
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid has a molecular weight of 220.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 82392813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).