2-phenyl-5-pyrazolidin-4-ylbenzoic acid

C16H16N2O2 — CID 171990959

IUPAC2-phenyl-5-pyrazolidin-4-ylbenzoic acid
SMILESO=C(O)c1cc(C2CNNC2)ccc1-c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-8-12(13-9-17-18-10-13)6-7-14(15)11-4-2-1-3-5-11/h1-8,13,17-18H,9-10H2,(H,19,20)
InChIKeyGPCVVAWCQKZIDK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds3

About 2-phenyl-5-pyrazolidin-4-ylbenzoic acid

2-phenyl-5-pyrazolidin-4-ylbenzoic acid (PubChem CID 171990959) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-phenyl-5-pyrazolidin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-phenyl-5-pyrazolidin-4-ylbenzoic acid
PubChem CID171990959
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-phenyl-5-pyrazolidin-4-ylbenzoic acid
SMILESO=C(O)c1cc(C2CNNC2)ccc1-c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-8-12(13-9-17-18-10-13)6-7-14(15)11-4-2-1-3-5-11/h1-8,13,17-18H,9-10H2,(H,19,20)
InChIKeyGPCVVAWCQKZIDK-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyrazolidin-4-ylbenzoic acid?
The IUPAC name of 2-phenyl-5-pyrazolidin-4-ylbenzoic acid (CID 171990959) is 2-phenyl-5-pyrazolidin-4-ylbenzoic acid.
What is the SMILES notation for 2-phenyl-5-pyrazolidin-4-ylbenzoic acid?
The canonical SMILES for 2-phenyl-5-pyrazolidin-4-ylbenzoic acid is O=C(O)c1cc(C2CNNC2)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-pyrazolidin-4-ylbenzoic acid?
The InChIKey is GPCVVAWCQKZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)15-8-12(13-9-17-18-10-13)6-7-14(15)11-4-2-1-3-5-11/h1-8,13,17-18H,9-10H2,(H,19,20).
What are the key properties of 2-phenyl-5-pyrazolidin-4-ylbenzoic acid?
2-phenyl-5-pyrazolidin-4-ylbenzoic acid has a molecular weight of 268.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyrazolidin-4-ylbenzoic acid is sourced from PubChem (CID 171990959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).