N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide

C19H24N4O3 — CID 17458643

IUPACN,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H24N4O3/c1-6-23(7-2)19(26)14-8-10-15(11-9-14)20-18(25)17(24)16-12(3)21-22(5)13(16)4/h8-11H,6-7H2,1-5H3,(H,20,25)
InChIKeyOYDKQYUGXOVLLE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.34
Rot. Bonds6

About N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide

N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide (PubChem CID 17458643) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
PubChem CID17458643
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H24N4O3/c1-6-23(7-2)19(26)14-8-10-15(11-9-14)20-18(25)17(24)16-12(3)21-22(5)13(16)4/h8-11H,6-7H2,1-5H3,(H,20,25)
InChIKeyOYDKQYUGXOVLLE-UHFFFAOYSA-N
XLogP2.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide (CID 17458643) is N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide?
The InChIKey is OYDKQYUGXOVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-6-23(7-2)19(26)14-8-10-15(11-9-14)20-18(25)17(24)16-12(3)21-22(5)13(16)4/h8-11H,6-7H2,1-5H3,(H,20,25).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide has a molecular weight of 356.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17458643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).