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

C10H16N4O3 — CID 43445168

IUPACmethyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C10H16N4O3/c1-6-10(11)7(2)14(13-6)5-8(15)12-4-9(16)17-3/h4-5,11H2,1-3H3,(H,12,15)
InChIKeyDYQRJPKVUVPVHR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.63
Rot. Bonds4

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

methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate (PubChem CID 43445168) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
PubChem CID43445168
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C10H16N4O3/c1-6-10(11)7(2)14(13-6)5-8(15)12-4-9(16)17-3/h4-5,11H2,1-3H3,(H,12,15)
InChIKeyDYQRJPKVUVPVHR-UHFFFAOYSA-N
XLogP-0.63
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
CID 107211589
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55081752
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 61282234

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate (CID 43445168) is methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate?
The InChIKey is DYQRJPKVUVPVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-10(11)7(2)14(13-6)5-8(15)12-4-9(16)17-3/h4-5,11H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate has a molecular weight of 240.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 43445168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).