N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide

C15H15N5O — CID 74250263

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3nccnc3c2)n(C)n1
InChIInChI=1S/C15H15N5O/c1-10-7-12(20(2)19-10)9-18-15(21)11-3-4-13-14(8-11)17-6-5-16-13/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyMQEDZERWXNTXIM-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.60
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 74250263) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
PubChem CID74250263
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3nccnc3c2)n(C)n1
InChIInChI=1S/C15H15N5O/c1-10-7-12(20(2)19-10)9-18-15(21)11-3-4-13-14(8-11)17-6-5-16-13/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyMQEDZERWXNTXIM-UHFFFAOYSA-N
XLogP1.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
CID 70773821
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239674
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 19292732
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide (CID 74250263) is N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide is Cc1cc(CNC(=O)c2ccc3nccnc3c2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is MQEDZERWXNTXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-7-12(20(2)19-10)9-18-15(21)11-3-4-13-14(8-11)17-6-5-16-13/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 74250263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).