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

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
CID 143816495
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 102977030
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 102977100
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
CID 102977021
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 74250251
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408

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).