2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

C13H20N6O — CID 91796524

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
SMILESCCc1nccn1CCNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H20N6O/c1-3-12-15-4-6-18(12)7-5-16-13(20)9-19-11(14)8-10(2)17-19/h4,6,8H,3,5,7,9,14H2,1-2H3,(H,16,20)
InChIKeyPHNQXEDIOYQNRG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.35
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide (PubChem CID 91796524) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
PubChem CID91796524
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide
SMILESCCc1nccn1CCNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H20N6O/c1-3-12-15-4-6-18(12)7-5-16-13(20)9-19-11(14)8-10(2)17-19/h4,6,8H,3,5,7,9,14H2,1-2H3,(H,16,20)
InChIKeyPHNQXEDIOYQNRG-UHFFFAOYSA-N
XLogP0.35
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide (CID 91796524) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide is CCc1nccn1CCNC(=O)Cn1nc(C)cc1N.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
The InChIKey is PHNQXEDIOYQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-12-15-4-6-18(12)7-5-16-13(20)9-19-11(14)8-10(2)17-19/h4,6,8H,3,5,7,9,14H2,1-2H3,(H,16,20).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91796524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).