2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide

C9H16N4O2 — CID 61125180

IUPAC2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C9H16N4O2/c1-12(3-4-15-2)9(14)7-13-6-8(10)5-11-13/h5-6H,3-4,7,10H2,1-2H3
InChIKeyUBRDAAXKCSIOIJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.43
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 61125180) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID61125180
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C9H16N4O2/c1-12(3-4-15-2)9(14)7-13-6-8(10)5-11-13/h5-6H,3-4,7,10H2,1-2H3
InChIKeyUBRDAAXKCSIOIJ-UHFFFAOYSA-N
XLogP-0.43
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide (CID 61125180) is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is UBRDAAXKCSIOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-12(3-4-15-2)9(14)7-13-6-8(10)5-11-13/h5-6H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 212.25 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 61125180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).