ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate

C13H19N3O3 — CID 84600432

IUPACethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1NC(=O)CC1CCC1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-8-16(2)15-12(10)14-11(17)7-9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyDAUGIGJLFPQOAK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds5

About ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate

ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 84600432) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID84600432
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1NC(=O)CC1CCC1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-8-16(2)15-12(10)14-11(17)7-9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyDAUGIGJLFPQOAK-UHFFFAOYSA-N
XLogP1.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate (CID 84600432) is ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1NC(=O)CC1CCC1.
What is the InChIKey of ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is DAUGIGJLFPQOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)10-8-16(2)15-12(10)14-11(17)7-9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate?
ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-cyclobutylacetyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 84600432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).