N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide

C16H17N5O — CID 92596027

IUPACN-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
SMILESCc1nc2ccc(NC(=O)CCn3cccn3)cc2nc1C
InChIInChI=1S/C16H17N5O/c1-11-12(2)19-15-10-13(4-5-14(15)18-11)20-16(22)6-9-21-8-3-7-17-21/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,22)
InChIKeyLGSKZMMVPQSYPV-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.47
Rot. Bonds4

About N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide

N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 92596027) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
PubChem CID92596027
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
SMILESCc1nc2ccc(NC(=O)CCn3cccn3)cc2nc1C
InChIInChI=1S/C16H17N5O/c1-11-12(2)19-15-10-13(4-5-14(15)18-11)20-16(22)6-9-21-8-3-7-17-21/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,22)
InChIKeyLGSKZMMVPQSYPV-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
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CID 131908353
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 63333811
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
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2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 60804474
N-phenazin-2-ylbutanamide
CID 73349412
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
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CID 102989766

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide (CID 92596027) is N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide is Cc1nc2ccc(NC(=O)CCn3cccn3)cc2nc1C.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is LGSKZMMVPQSYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-12(2)19-15-10-13(4-5-14(15)18-11)20-16(22)6-9-21-8-3-7-17-21/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide?
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 295.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 92596027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).