4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid

C23H19N3O3 — CID 135355561

IUPAC4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(=O)O)cc2)cc1=O
InChIInChI=1S/C23H19N3O3/c1-25-15-21(19-12-24-26(14-19)13-16-5-3-2-4-6-16)20(11-22(25)27)17-7-9-18(10-8-17)23(28)29/h2-12,14-15H,13H2,1H3,(H,28,29)
InChIKeyVNIDHPOABZFVMM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.66
Rot. Bonds5

About 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid

4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid (PubChem CID 135355561) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid
PubChem CID135355561
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(=O)O)cc2)cc1=O
InChIInChI=1S/C23H19N3O3/c1-25-15-21(19-12-24-26(14-19)13-16-5-3-2-4-6-16)20(11-22(25)27)17-7-9-18(10-8-17)23(28)29/h2-12,14-15H,13H2,1H3,(H,28,29)
InChIKeyVNIDHPOABZFVMM-UHFFFAOYSA-N
XLogP3.66
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid?
The IUPAC name of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid (CID 135355561) is 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid?
The canonical SMILES for 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(=O)O)cc2)cc1=O.
What is the InChIKey of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid?
The InChIKey is VNIDHPOABZFVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-25-15-21(19-12-24-26(14-19)13-16-5-3-2-4-6-16)20(11-22(25)27)17-7-9-18(10-8-17)23(28)29/h2-12,14-15H,13H2,1H3,(H,28,29).
What are the key properties of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid?
4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzoic acid is sourced from PubChem (CID 135355561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).