4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one

C11H20N4O — CID 23104163

IUPAC4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one
SMILESCCn1c(N2CCCC2)c(N)c(=O)n1CC
InChIInChI=1S/C11H20N4O/c1-3-14-10(13-7-5-6-8-13)9(12)11(16)15(14)4-2/h3-8,12H2,1-2H3
InChIKeyBTJGBTYCHNWCQB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one

4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one (PubChem CID 23104163) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one
PubChem CID23104163
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one
SMILESCCn1c(N2CCCC2)c(N)c(=O)n1CC
InChIInChI=1S/C11H20N4O/c1-3-14-10(13-7-5-6-8-13)9(12)11(16)15(14)4-2/h3-8,12H2,1-2H3
InChIKeyBTJGBTYCHNWCQB-UHFFFAOYSA-N
XLogP0.87
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 130546598
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one (CID 23104163) is 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one is CCn1c(N2CCCC2)c(N)c(=O)n1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one?
The InChIKey is BTJGBTYCHNWCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-14-10(13-7-5-6-8-13)9(12)11(16)15(14)4-2/h3-8,12H2,1-2H3.
What are the key properties of 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one?
4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one is sourced from PubChem (CID 23104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).