N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide

C21H19N5O2 — CID 16730911

IUPACN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1
InChIInChI=1S/C21H19N5O2/c1-13(27)24-16-6-4-5-14(11-16)19-20(25(2)26(3)21(19)28)15-7-8-17-18(12-15)23-10-9-22-17/h4-12H,1-3H3,(H,24,27)
InChIKeyNILOQTWHZKPEKW-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.96
Rot. Bonds3

About N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide

N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide (PubChem CID 16730911) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide
PubChem CID16730911
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1
InChIInChI=1S/C21H19N5O2/c1-13(27)24-16-6-4-5-14(11-16)19-20(25(2)26(3)21(19)28)15-7-8-17-18(12-15)23-10-9-22-17/h4-12H,1-3H3,(H,24,27)
InChIKeyNILOQTWHZKPEKW-UHFFFAOYSA-N
XLogP2.96
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide (CID 16730911) is N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1.
What is the InChIKey of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is NILOQTWHZKPEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13(27)24-16-6-4-5-14(11-16)19-20(25(2)26(3)21(19)28)15-7-8-17-18(12-15)23-10-9-22-17/h4-12H,1-3H3,(H,24,27).
What are the key properties of N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide?
N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 16730911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).