4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid

C20H19FN2O2 — CID 110160760

IUPAC4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
SMILESCC(C)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-13(2)12-23-19(15-7-9-17(21)10-8-15)11-18(22-23)14-3-5-16(6-4-14)20(24)25/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyHIUJXEARJUXAPZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.71
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid

4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid (PubChem CID 110160760) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
PubChem CID110160760
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
SMILESCC(C)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-13(2)12-23-19(15-7-9-17(21)10-8-15)11-18(22-23)14-3-5-16(6-4-14)20(24)25/h3-11,13H,12H2,1-2H3,(H,24,25)
InChIKeyHIUJXEARJUXAPZ-UHFFFAOYSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid (CID 110160760) is 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid is CC(C)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The InChIKey is HIUJXEARJUXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(2)12-23-19(15-7-9-17(21)10-8-15)11-18(22-23)14-3-5-16(6-4-14)20(24)25/h3-11,13H,12H2,1-2H3,(H,24,25).
What are the key properties of 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid has a molecular weight of 338.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 110160760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).