10-(3,4-diphenylpyrazol-1-yl)decanoic acid

C25H30N2O2 — CID 15725734

IUPAC10-(3,4-diphenylpyrazol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-20-23(21-14-8-6-9-15-21)25(26-27)22-16-10-7-11-17-22/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29)
InChIKeyFIMVIWQNWJSFNU-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.42
Rot. Bonds12

About 10-(3,4-diphenylpyrazol-1-yl)decanoic acid

10-(3,4-diphenylpyrazol-1-yl)decanoic acid (PubChem CID 15725734) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 10-(3,4-diphenylpyrazol-1-yl)decanoic acid.

Molecular Properties

Compound Name10-(3,4-diphenylpyrazol-1-yl)decanoic acid
PubChem CID15725734
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name10-(3,4-diphenylpyrazol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-20-23(21-14-8-6-9-15-21)25(26-27)22-16-10-7-11-17-22/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29)
InChIKeyFIMVIWQNWJSFNU-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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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
3,4,5-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
{3-[4-(4-Benzyl-1-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
CID 516338

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-diphenylpyrazol-1-yl)decanoic acid?
The IUPAC name of 10-(3,4-diphenylpyrazol-1-yl)decanoic acid (CID 15725734) is 10-(3,4-diphenylpyrazol-1-yl)decanoic acid.
What is the SMILES notation for 10-(3,4-diphenylpyrazol-1-yl)decanoic acid?
The canonical SMILES for 10-(3,4-diphenylpyrazol-1-yl)decanoic acid is O=C(O)CCCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 10-(3,4-diphenylpyrazol-1-yl)decanoic acid?
The InChIKey is FIMVIWQNWJSFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24(29)18-12-4-2-1-3-5-13-19-27-20-23(21-14-8-6-9-15-21)25(26-27)22-16-10-7-11-17-22/h6-11,14-17,20H,1-5,12-13,18-19H2,(H,28,29).
What are the key properties of 10-(3,4-diphenylpyrazol-1-yl)decanoic acid?
10-(3,4-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-(3,4-diphenylpyrazol-1-yl)decanoic acid is sourced from PubChem (CID 15725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).