9-(4,5-diphenylpyrazol-1-yl)nonanoic acid

C24H28N2O2 — CID 10452166

IUPAC9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-24(21-15-9-6-10-16-21)22(19-25-26)20-13-7-5-8-14-20/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyNYSUVLRXICSMFG-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.03
Rot. Bonds11

About 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid

9-(4,5-diphenylpyrazol-1-yl)nonanoic acid (PubChem CID 10452166) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid.

Molecular Properties

Compound Name9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
PubChem CID10452166
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-24(21-15-9-6-10-16-21)22(19-25-26)20-13-7-5-8-14-20/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyNYSUVLRXICSMFG-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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Related Compounds

1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2566102
(2E)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 2565969
Cyclohexyl-{3-[4-(2-ethyl-4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
CID 516333
1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
Cyclohexyl-{3-[4-(2-methyl-4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
CID 516336
Cyclohexyl-{3-[4-(4-phenethyl-2-propyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
CID 516337
3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 783977
3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid
CID 131814
{3-[4-(4-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
CID 516332

Frequently Asked Questions

What is the IUPAC name of 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid?
The IUPAC name of 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid (CID 10452166) is 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid.
What is the SMILES notation for 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid?
The canonical SMILES for 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid is O=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid?
The InChIKey is NYSUVLRXICSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-24(21-15-9-6-10-16-21)22(19-25-26)20-13-7-5-8-14-20/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28).
What are the key properties of 9-(4,5-diphenylpyrazol-1-yl)nonanoic acid?
9-(4,5-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-(4,5-diphenylpyrazol-1-yl)nonanoic acid is sourced from PubChem (CID 10452166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).