N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide

C9H16N4O2 — CID 119767695

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccn(CCOC)n1
InChIInChI=1S/C9H16N4O2/c1-10-7-9(14)11-8-3-4-13(12-8)5-6-15-2/h3-4,10H,5-7H2,1-2H3,(H,11,12,14)
InChIKeyGUOGDAFYQIFQNW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.31
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide (PubChem CID 119767695) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
PubChem CID119767695
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccn(CCOC)n1
InChIInChI=1S/C9H16N4O2/c1-10-7-9(14)11-8-3-4-13(12-8)5-6-15-2/h3-4,10H,5-7H2,1-2H3,(H,11,12,14)
InChIKeyGUOGDAFYQIFQNW-UHFFFAOYSA-N
XLogP-0.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide (CID 119767695) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccn(CCOC)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide?
The InChIKey is GUOGDAFYQIFQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-10-7-9(14)11-8-3-4-13(12-8)5-6-15-2/h3-4,10H,5-7H2,1-2H3,(H,11,12,14).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 119767695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).