2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine

C16H19N5 — CID 105162303

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
SMILESCCn1nc(C)cc1CC(N)c1cccc2nccnc12
InChIInChI=1S/C16H19N5/c1-3-21-12(9-11(2)20-21)10-14(17)13-5-4-6-15-16(13)19-8-7-18-15/h4-9,14H,3,10,17H2,1-2H3
InChIKeyNKVZVXULNZOXED-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine

2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine (PubChem CID 105162303) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
PubChem CID105162303
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
SMILESCCn1nc(C)cc1CC(N)c1cccc2nccnc12
InChIInChI=1S/C16H19N5/c1-3-21-12(9-11(2)20-21)10-14(17)13-5-4-6-15-16(13)19-8-7-18-15/h4-9,14H,3,10,17H2,1-2H3
InChIKeyNKVZVXULNZOXED-UHFFFAOYSA-N
XLogP2.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-quinoxalin-5-ylethanamine
CID 105158647
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162499
2-(5-ethylthiophen-2-yl)-1-quinoxalin-5-ylethanamine
CID 105135907
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373928

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine (CID 105162303) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine is CCn1nc(C)cc1CC(N)c1cccc2nccnc12.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine?
The InChIKey is NKVZVXULNZOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-21-12(9-11(2)20-21)10-14(17)13-5-4-6-15-16(13)19-8-7-18-15/h4-9,14H,3,10,17H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 105162303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).