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

C23H20N4O2 — CID 135355275

IUPAC4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(N)=O)cc2)cc1=O
InChIInChI=1S/C23H20N4O2/c1-26-15-21(19-12-25-27(14-19)13-16-5-3-2-4-6-16)20(11-22(26)28)17-7-9-18(10-8-17)23(24)29/h2-12,14-15H,13H2,1H3,(H2,24,29)
InChIKeyPRXTYKKJOJNBFS-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.06
Rot. Bonds5

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

4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide (PubChem CID 135355275) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide
PubChem CID135355275
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(N)=O)cc2)cc1=O
InChIInChI=1S/C23H20N4O2/c1-26-15-21(19-12-25-27(14-19)13-16-5-3-2-4-6-16)20(11-22(26)28)17-7-9-18(10-8-17)23(24)29/h2-12,14-15H,13H2,1H3,(H2,24,29)
InChIKeyPRXTYKKJOJNBFS-UHFFFAOYSA-N
XLogP3.06
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.06
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]benzamide?
The IUPAC name of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide (CID 135355275) is 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc(C(N)=O)cc2)cc1=O.
What is the InChIKey of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide?
The InChIKey is PRXTYKKJOJNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-26-15-21(19-12-25-27(14-19)13-16-5-3-2-4-6-16)20(11-22(26)28)17-7-9-18(10-8-17)23(24)29/h2-12,14-15H,13H2,1H3,(H2,24,29).
What are the key properties of 4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide?
4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.06, 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]benzamide is sourced from PubChem (CID 135355275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).