2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide

C21H19N5O — CID 55703032

IUPAC2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2nc1C
InChIInChI=1S/C21H19N5O/c1-14-15(2)25-20-12-17(6-9-19(20)24-14)21(27)22-13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyITXOPUARNCDARY-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.36
Rot. Bonds4

About 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide (PubChem CID 55703032) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
PubChem CID55703032
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2nc1C
InChIInChI=1S/C21H19N5O/c1-14-15(2)25-20-12-17(6-9-19(20)24-14)21(27)22-13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyITXOPUARNCDARY-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide (CID 55703032) is 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide?
The InChIKey is ITXOPUARNCDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-15(2)25-20-12-17(6-9-19(20)24-14)21(27)22-13-16-4-7-18(8-5-16)26-11-3-10-23-26/h3-12H,13H2,1-2H3,(H,22,27).
What are the key properties of 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 55703032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).