ethyl 3-acetamido-1-methylpyrazole-4-carboxylate

C9H13N3O3 — CID 11572025

IUPACethyl 3-acetamido-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1NC(C)=O
InChIInChI=1S/C9H13N3O3/c1-4-15-9(14)7-5-12(3)11-8(7)10-6(2)13/h5H,4H2,1-3H3,(H,10,11,13)
InChIKeyWZVDTPLNNPZXSG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.56
Rot. Bonds3

About ethyl 3-acetamido-1-methylpyrazole-4-carboxylate

ethyl 3-acetamido-1-methylpyrazole-4-carboxylate (PubChem CID 11572025) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 3-acetamido-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-1-methylpyrazole-4-carboxylate
PubChem CID11572025
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 3-acetamido-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1NC(C)=O
InChIInChI=1S/C9H13N3O3/c1-4-15-9(14)7-5-12(3)11-8(7)10-6(2)13/h5H,4H2,1-3H3,(H,10,11,13)
InChIKeyWZVDTPLNNPZXSG-UHFFFAOYSA-N
XLogP0.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2,5-dimethylbenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 154752452
ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 84600432
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
ethyl 2-acetamido-6-methylpyridine-3-carboxylate
CID 12910047
ethyl 1-propyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate
CID 22101144
(4-ethoxycarbonyl-1-methylpyrazol-3-yl)-methoxy-oxoazanium
CID 145168844
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 1-butyl-3-(hexylcarbamoylamino)pyrazole-4-carboxylate
CID 22101197
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
CID 169206457
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-acetamido-1-methylpyrazole-4-carboxylate (CID 11572025) is ethyl 3-acetamido-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-acetamido-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1NC(C)=O.
What is the InChIKey of ethyl 3-acetamido-1-methylpyrazole-4-carboxylate?
The InChIKey is WZVDTPLNNPZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-15-9(14)7-5-12(3)11-8(7)10-6(2)13/h5H,4H2,1-3H3,(H,10,11,13).
What are the key properties of ethyl 3-acetamido-1-methylpyrazole-4-carboxylate?
ethyl 3-acetamido-1-methylpyrazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 11572025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).