9-(3,4-diphenylpyrazol-1-yl)nonanoic acid

C24H28N2O2 — CID 10090958

IUPAC9-(3,4-diphenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-19-22(20-13-7-5-8-14-20)24(25-26)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyVEFMIVGPQNCNLD-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.03
Rot. Bonds11

About 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid

9-(3,4-diphenylpyrazol-1-yl)nonanoic acid (PubChem CID 10090958) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid.

Molecular Properties

Compound Name9-(3,4-diphenylpyrazol-1-yl)nonanoic acid
PubChem CID10090958
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name9-(3,4-diphenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-19-22(20-13-7-5-8-14-20)24(25-26)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyVEFMIVGPQNCNLD-UHFFFAOYSA-N
XLogP6.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid?
The IUPAC name of 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid (CID 10090958) is 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid.
What is the SMILES notation for 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid?
The canonical SMILES for 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid is O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid?
The InChIKey is VEFMIVGPQNCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-19-22(20-13-7-5-8-14-20)24(25-26)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28).
What are the key properties of 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid?
9-(3,4-diphenylpyrazol-1-yl)nonanoic acid has a molecular weight of 376.50 g/mol, XLogP of 6.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-diphenylpyrazol-1-yl)nonanoic acid is sourced from PubChem (CID 10090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).