2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide

C16H28N4O3 — CID 121368091

IUPAC2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
SMILESCc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1CCN1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-13(11-17-15(22)16(2,3)4)14(21)18-20(12)6-5-19-7-9-23-10-8-19/h5-11H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyMWUAWAFLFKPERK-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.48
Rot. Bonds5

About 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide

2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide (PubChem CID 121368091) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
PubChem CID121368091
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
SMILESCc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1CCN1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-13(11-17-15(22)16(2,3)4)14(21)18-20(12)6-5-19-7-9-23-10-8-19/h5-11H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyMWUAWAFLFKPERK-UHFFFAOYSA-N
XLogP0.48
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide (CID 121368091) is 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide is Cc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1CCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
The InChIKey is MWUAWAFLFKPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-13(11-17-15(22)16(2,3)4)14(21)18-20(12)6-5-19-7-9-23-10-8-19/h5-11H2,1-4H3,(H,17,22)(H,18,21).
What are the key properties of 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide?
2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 121368091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).