[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate

C11H17N3O3 — CID 71978773

IUPAC[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OCCC(=O)NC
InChIInChI=1S/C11H17N3O3/c1-4-14-9(7-8(2)13-14)11(16)17-6-5-10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOYBKPEBNZAVZMU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.50
Rot. Bonds5

About [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate

[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate (PubChem CID 71978773) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate
PubChem CID71978773
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OCCC(=O)NC
InChIInChI=1S/C11H17N3O3/c1-4-14-9(7-8(2)13-14)11(16)17-6-5-10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOYBKPEBNZAVZMU-UHFFFAOYSA-N
XLogP0.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The IUPAC name of [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate (CID 71978773) is [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The canonical SMILES for [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate is CCn1nc(C)cc1C(=O)OCCC(=O)NC.
What is the InChIKey of [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
The InChIKey is OYBKPEBNZAVZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14-9(7-8(2)13-14)11(16)17-6-5-10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate?
[3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-3-oxopropyl] 2-ethyl-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 71978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).