N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide

C8H13N5O2 — CID 62101394

IUPACN-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C8H13N5O2/c1-12(4-7(10)14)8(15)5-13-3-2-6(9)11-13/h2-3H,4-5H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyKLTLYRHPYKHFCY-UHFFFAOYSA-N
MW211.23 g/mol
LogP-1.59
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide

N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide (PubChem CID 62101394) has the molecular formula C8H13N5O2 and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
PubChem CID62101394
Molecular FormulaC8H13N5O2
Molecular Weight211.23 g/mol
Exact Mass211.11
IUPAC NameN-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C8H13N5O2/c1-12(4-7(10)14)8(15)5-13-3-2-6(9)11-13/h2-3H,4-5H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyKLTLYRHPYKHFCY-UHFFFAOYSA-N
XLogP-1.59
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide (CID 62101394) is N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide is CN(CC(N)=O)C(=O)Cn1ccc(N)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide?
The InChIKey is KLTLYRHPYKHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12(4-7(10)14)8(15)5-13-3-2-6(9)11-13/h2-3H,4-5H2,1H3,(H2,9,11)(H2,10,14).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide has a molecular weight of 211.23 g/mol, XLogP of -1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 62101394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).