[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C13H22N4O3 — CID 66117841

IUPAC[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCC(=O)N(CC)CC)c1N
InChIInChI=1S/C13H22N4O3/c1-5-9-11(14)12(16(4)15-9)13(19)20-8-10(18)17(6-2)7-3/h5-8,14H2,1-4H3
InChIKeyPKUCWFPXVIHIRJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.59
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66117841) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66117841
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCC(=O)N(CC)CC)c1N
InChIInChI=1S/C13H22N4O3/c1-5-9-11(14)12(16(4)15-9)13(19)20-8-10(18)17(6-2)7-3/h5-8,14H2,1-4H3
InChIKeyPKUCWFPXVIHIRJ-UHFFFAOYSA-N
XLogP0.59
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66117841) is [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCC(=O)N(CC)CC)c1N.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is PKUCWFPXVIHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-5-9-11(14)12(16(4)15-9)13(19)20-8-10(18)17(6-2)7-3/h5-8,14H2,1-4H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66117841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).