10-(4,5-diphenylpyrazol-1-yl)decanoic acid

C25H30N2O2 — CID 15725736

IUPAC10-(4,5-diphenylpyrazol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-25(22-16-10-7-11-17-22)23(20-26-27)21-14-8-6-9-15-21/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29)
InChIKeyACRFLRNCJOXGIT-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.42
Rot. Bonds12

About 10-(4,5-diphenylpyrazol-1-yl)decanoic acid

10-(4,5-diphenylpyrazol-1-yl)decanoic acid (PubChem CID 15725736) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 10-(4,5-diphenylpyrazol-1-yl)decanoic acid.

Molecular Properties

Compound Name10-(4,5-diphenylpyrazol-1-yl)decanoic acid
PubChem CID15725736
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name10-(4,5-diphenylpyrazol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-25(22-16-10-7-11-17-22)23(20-26-27)21-14-8-6-9-15-21/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29)
InChIKeyACRFLRNCJOXGIT-UHFFFAOYSA-N
XLogP6.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.42
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 10-(4,5-diphenylpyrazol-1-yl)decanoic acid?
The IUPAC name of 10-(4,5-diphenylpyrazol-1-yl)decanoic acid (CID 15725736) is 10-(4,5-diphenylpyrazol-1-yl)decanoic acid.
What is the SMILES notation for 10-(4,5-diphenylpyrazol-1-yl)decanoic acid?
The canonical SMILES for 10-(4,5-diphenylpyrazol-1-yl)decanoic acid is O=C(O)CCCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 10-(4,5-diphenylpyrazol-1-yl)decanoic acid?
The InChIKey is ACRFLRNCJOXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-25(22-16-10-7-11-17-22)23(20-26-27)21-14-8-6-9-15-21/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29).
What are the key properties of 10-(4,5-diphenylpyrazol-1-yl)decanoic acid?
10-(4,5-diphenylpyrazol-1-yl)decanoic acid has a molecular weight of 390.53 g/mol, XLogP of 6.42, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,5-diphenylpyrazol-1-yl)decanoic acid is sourced from PubChem (CID 15725736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).