N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide

C20H22N4O3 — CID 135355513

IUPACN-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cn(Cc2ccccc2)nc1NC(C)=O
InChIInChI=1S/C20H22N4O3/c1-4-27-18-10-19(26)23(3)12-16(18)17-13-24(22-20(17)21-14(2)25)11-15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3,(H,21,22,25)
InChIKeyWXBLGXWHPGKQKD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.65
Rot. Bonds6

About N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide

N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide (PubChem CID 135355513) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide
PubChem CID135355513
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cn(Cc2ccccc2)nc1NC(C)=O
InChIInChI=1S/C20H22N4O3/c1-4-27-18-10-19(26)23(3)12-16(18)17-13-24(22-20(17)21-14(2)25)11-15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3,(H,21,22,25)
InChIKeyWXBLGXWHPGKQKD-UHFFFAOYSA-N
XLogP2.65
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide (CID 135355513) is N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide is CCOc1cc(=O)n(C)cc1-c1cn(Cc2ccccc2)nc1NC(C)=O.
What is the InChIKey of N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide?
The InChIKey is WXBLGXWHPGKQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-27-18-10-19(26)23(3)12-16(18)17-13-24(22-20(17)21-14(2)25)11-15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3,(H,21,22,25).
What are the key properties of N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide?
N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135355513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).