7-(4,5-diphenylpyrazol-1-yl)heptanoic acid

C22H24N2O2 — CID 15725735

IUPAC7-(4,5-diphenylpyrazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-22(19-13-7-4-8-14-19)20(17-23-24)18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26)
InChIKeyNNACTJJYEVVQKF-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.25
Rot. Bonds9

About 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid

7-(4,5-diphenylpyrazol-1-yl)heptanoic acid (PubChem CID 15725735) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4,5-diphenylpyrazol-1-yl)heptanoic acid
PubChem CID15725735
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7-(4,5-diphenylpyrazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-22(19-13-7-4-8-14-19)20(17-23-24)18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26)
InChIKeyNNACTJJYEVVQKF-UHFFFAOYSA-N
XLogP5.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid?
The IUPAC name of 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid (CID 15725735) is 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid?
The canonical SMILES for 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid is O=C(O)CCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid?
The InChIKey is NNACTJJYEVVQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-22(19-13-7-4-8-14-19)20(17-23-24)18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26).
What are the key properties of 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid?
7-(4,5-diphenylpyrazol-1-yl)heptanoic acid has a molecular weight of 348.45 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-diphenylpyrazol-1-yl)heptanoic acid is sourced from PubChem (CID 15725735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).