methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate

C10H15N3O3 — CID 43431213

IUPACmethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C10H15N3O3/c1-6-8(7(2)13-12-6)4-9(14)11-5-10(15)16-3/h4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWABWHSSUNALGJU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.14
Rot. Bonds4

About methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate

methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate (PubChem CID 43431213) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
PubChem CID43431213
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C10H15N3O3/c1-6-8(7(2)13-12-6)4-9(14)11-5-10(15)16-3/h4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWABWHSSUNALGJU-UHFFFAOYSA-N
XLogP-0.14
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate (CID 43431213) is methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate?
The InChIKey is WABWHSSUNALGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-8(7(2)13-12-6)4-9(14)11-5-10(15)16-3/h4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate?
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate has a molecular weight of 225.25 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 43431213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).