2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide

C14H13N5O — CID 171706123

IUPAC2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
SMILESCn1cc(CC(=O)Nc2ccc3nccnc3c2)cn1
InChIInChI=1S/C14H13N5O/c1-19-9-10(8-17-19)6-14(20)18-11-2-3-12-13(7-11)16-5-4-15-12/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyZMDNOANQPIVDNC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.54
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide

2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide (PubChem CID 171706123) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
PubChem CID171706123
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
SMILESCn1cc(CC(=O)Nc2ccc3nccnc3c2)cn1
InChIInChI=1S/C14H13N5O/c1-19-9-10(8-17-19)6-14(20)18-11-2-3-12-13(7-11)16-5-4-15-12/h2-5,7-9H,6H2,1H3,(H,18,20)
InChIKeyZMDNOANQPIVDNC-UHFFFAOYSA-N
XLogP1.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide (CID 171706123) is 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide is Cn1cc(CC(=O)Nc2ccc3nccnc3c2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide?
The InChIKey is ZMDNOANQPIVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-9-10(8-17-19)6-14(20)18-11-2-3-12-13(7-11)16-5-4-15-12/h2-5,7-9H,6H2,1H3,(H,18,20).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide?
2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide has a molecular weight of 267.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 171706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).