ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate

C10H15N3O3 — CID 178084701

IUPACethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(C)=O
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)6-13-9(11-8(3)14)5-7(2)12-13/h5H,4,6H2,1-3H3,(H,11,14)
InChIKeyILRFXMJZBOAODJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.71
Rot. Bonds4

About ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate

ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate (PubChem CID 178084701) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate
PubChem CID178084701
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(C)=O
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)6-13-9(11-8(3)14)5-7(2)12-13/h5H,4,6H2,1-3H3,(H,11,14)
InChIKeyILRFXMJZBOAODJ-UHFFFAOYSA-N
XLogP0.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
ethyl 2-((1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)amino)-2-oxoacetate
CID 135551487
ethyl 2-((3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)amino)-2-oxoacetate
CID 135752909
ethyl 2-((3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)amino)-2-oxoacetate
CID 135753198
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 36799947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate (CID 178084701) is ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C)cc1NC(C)=O.
What is the InChIKey of ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate?
The InChIKey is ILRFXMJZBOAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-10(15)6-13-9(11-8(3)14)5-7(2)12-13/h5H,4,6H2,1-3H3,(H,11,14).
What are the key properties of ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate?
ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate has a molecular weight of 225.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 178084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).