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

C21H20N6O2 — CID 135355351

IUPAC2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cnn(CC(N)=O)c2)cc1=O
InChIInChI=1S/C21H20N6O2/c1-25-13-19(17-9-23-26(12-17)10-15-5-3-2-4-6-15)18(7-21(25)29)16-8-24-27(11-16)14-20(22)28/h2-9,11-13H,10,14H2,1H3,(H2,22,28)
InChIKeyHXMBSVXSCUEPJM-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.65
Rot. Bonds6

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

2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide (PubChem CID 135355351) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide
PubChem CID135355351
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cnn(CC(N)=O)c2)cc1=O
InChIInChI=1S/C21H20N6O2/c1-25-13-19(17-9-23-26(12-17)10-15-5-3-2-4-6-15)18(7-21(25)29)16-8-24-27(11-16)14-20(22)28/h2-9,11-13H,10,14H2,1H3,(H2,22,28)
InChIKeyHXMBSVXSCUEPJM-UHFFFAOYSA-N
XLogP1.65
TPSA100.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide (CID 135355351) is 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cnn(CC(N)=O)c2)cc1=O.
What is the InChIKey of 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide?
The InChIKey is HXMBSVXSCUEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25-13-19(17-9-23-26(12-17)10-15-5-3-2-4-6-15)18(7-21(25)29)16-8-24-27(11-16)14-20(22)28/h2-9,11-13H,10,14H2,1H3,(H2,22,28).
What are the key properties of 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide?
2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 135355351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).