[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate

C21H19N5O2 — CID 67562719

IUPAC[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C21H19N5O2/c1-3-25(2)21(27)28-17-10-8-16(9-11-17)26-14-15(12-23-26)20-13-22-18-6-4-5-7-19(18)24-20/h4-14H,3H2,1-2H3
InChIKeyAPBJDKBEPNEYFZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.93
Rot. Bonds4

About [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate

[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate (PubChem CID 67562719) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate
PubChem CID67562719
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C21H19N5O2/c1-3-25(2)21(27)28-17-10-8-16(9-11-17)26-14-15(12-23-26)20-13-22-18-6-4-5-7-19(18)24-20/h4-14H,3H2,1-2H3
InChIKeyAPBJDKBEPNEYFZ-UHFFFAOYSA-N
XLogP3.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate (CID 67562719) is [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1.
What is the InChIKey of [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is APBJDKBEPNEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-3-25(2)21(27)28-17-10-8-16(9-11-17)26-14-15(12-23-26)20-13-22-18-6-4-5-7-19(18)24-20/h4-14H,3H2,1-2H3.
What are the key properties of [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate?
[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 373.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 67562719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).