7-(3,4-diphenylpyrazol-1-yl)heptanoic acid

C22H24N2O2 — CID 15725732

IUPAC7-(3,4-diphenylpyrazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-17-20(18-11-5-3-6-12-18)22(23-24)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26)
InChIKeyFZXZHLVBLXIJCK-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.25
Rot. Bonds9

About 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid

7-(3,4-diphenylpyrazol-1-yl)heptanoic acid (PubChem CID 15725732) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(3,4-diphenylpyrazol-1-yl)heptanoic acid
PubChem CID15725732
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7-(3,4-diphenylpyrazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-17-20(18-11-5-3-6-12-18)22(23-24)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26)
InChIKeyFZXZHLVBLXIJCK-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'}

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Related Compounds

Cyclohexyl-{3-[4-(2-ethyl-4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
CID 516333
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-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-(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
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-(1-ethyl-4-phenethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
CID 516339

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid?
The IUPAC name of 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid (CID 15725732) is 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid?
The canonical SMILES for 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid is O=C(O)CCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid?
The InChIKey is FZXZHLVBLXIJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(26)15-9-1-2-10-16-24-17-20(18-11-5-3-6-12-18)22(23-24)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,25,26).
What are the key properties of 7-(3,4-diphenylpyrazol-1-yl)heptanoic acid?
7-(3,4-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-(3,4-diphenylpyrazol-1-yl)heptanoic acid is sourced from PubChem (CID 15725732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).