11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid

C32H36N2O2 — CID 15725727

IUPAC11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H36N2O2/c35-29(36)24-16-5-3-1-2-4-6-17-25-34-32(28-22-14-9-15-23-28)30(26-18-10-7-11-19-26)31(33-34)27-20-12-8-13-21-27/h7-15,18-23H,1-6,16-17,24-25H2,(H,35,36)
InChIKeyLSGPJFPPZFTYHC-UHFFFAOYSA-N
MW480.65 g/mol
LogP8.48
Rot. Bonds14

About 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid

11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid (PubChem CID 15725727) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid
PubChem CID15725727
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H36N2O2/c35-29(36)24-16-5-3-1-2-4-6-17-25-34-32(28-22-14-9-15-23-28)30(26-18-10-7-11-19-26)31(33-34)27-20-12-8-13-21-27/h7-15,18-23H,1-6,16-17,24-25H2,(H,35,36)
InChIKeyLSGPJFPPZFTYHC-UHFFFAOYSA-N
XLogP8.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 58.48
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 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid?
The IUPAC name of 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid (CID 15725727) is 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid.
What is the SMILES notation for 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid?
The canonical SMILES for 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid?
The InChIKey is LSGPJFPPZFTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c35-29(36)24-16-5-3-1-2-4-6-17-25-34-32(28-22-14-9-15-23-28)30(26-18-10-7-11-19-26)31(33-34)27-20-12-8-13-21-27/h7-15,18-23H,1-6,16-17,24-25H2,(H,35,36).
What are the key properties of 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid?
11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid has a molecular weight of 480.65 g/mol, XLogP of 8.48, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic acid is sourced from PubChem (CID 15725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).