[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C10H16N4O3 — CID 61321425

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

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

[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61321425) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61321425
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCNC(=O)COC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C10H16N4O3/c1-6-10(11)7(2)14(13-6)4-9(16)17-5-8(15)12-3/h4-5,11H2,1-3H3,(H,12,15)
InChIKeyYPPJRPPJNVQIBY-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

2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321043
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide
CID 63892280
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 65459981
4-cyanobutyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 54966380
[2-(ethylamino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 4783410
[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61323327
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61321425) is [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is CNC(=O)COC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is YPPJRPPJNVQIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-10(11)7(2)14(13-6)4-9(16)17-5-8(15)12-3/h4-5,11H2,1-3H3,(H,12,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)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 [2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61321425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).