2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid

C17H15FN2O2 — CID 70528541

IUPAC2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(F)cc2)N=C1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-11-13(10-16(21)22)17(19-20)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,21,22)
InChIKeyNGEAODDEJPXOKR-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid

2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid (PubChem CID 70528541) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid
PubChem CID70528541
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(F)cc2)N=C1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-11-13(10-16(21)22)17(19-20)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,21,22)
InChIKeyNGEAODDEJPXOKR-UHFFFAOYSA-N
XLogP3.14
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid (CID 70528541) is 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid is O=C(O)CC1CN(c2ccc(F)cc2)N=C1c1ccccc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid?
The InChIKey is NGEAODDEJPXOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-6-8-15(9-7-14)20-11-13(10-16(21)22)17(19-20)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,21,22).
What are the key properties of 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid?
2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid has a molecular weight of 298.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]acetic acid is sourced from PubChem (CID 70528541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).