N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide

C11H20N4O — CID 82693464

IUPACN-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)NCCN)n1
InChIInChI=1S/C11H20N4O/c1-3-9-7-10(4-2)15(14-9)8-11(16)13-6-5-12/h7H,3-6,8,12H2,1-2H3,(H,13,16)
InChIKeyYVOILMCVFMLMTE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.08
Rot. Bonds6

About N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide

N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide (PubChem CID 82693464) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
PubChem CID82693464
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)NCCN)n1
InChIInChI=1S/C11H20N4O/c1-3-9-7-10(4-2)15(14-9)8-11(16)13-6-5-12/h7H,3-6,8,12H2,1-2H3,(H,13,16)
InChIKeyYVOILMCVFMLMTE-UHFFFAOYSA-N
XLogP0.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide (CID 82693464) is N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide is CCc1cc(CC)n(CC(=O)NCCN)n1.
What is the InChIKey of N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The InChIKey is YVOILMCVFMLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9-7-10(4-2)15(14-9)8-11(16)13-6-5-12/h7H,3-6,8,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 82693464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).