2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one

C10H19N3O — CID 63561650

IUPAC2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one
SMILESCCC1=NN(CCN(C)C)C(=O)C1C
InChIInChI=1S/C10H19N3O/c1-5-9-8(2)10(14)13(11-9)7-6-12(3)4/h8H,5-7H2,1-4H3
InChIKeyXZFXESGFFAQBJK-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.79
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one

2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one (PubChem CID 63561650) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one
PubChem CID63561650
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one
SMILESCCC1=NN(CCN(C)C)C(=O)C1C
InChIInChI=1S/C10H19N3O/c1-5-9-8(2)10(14)13(11-9)7-6-12(3)4/h8H,5-7H2,1-4H3
InChIKeyXZFXESGFFAQBJK-UHFFFAOYSA-N
XLogP0.79
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one (CID 63561650) is 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one is CCC1=NN(CCN(C)C)C(=O)C1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one?
The InChIKey is XZFXESGFFAQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-9-8(2)10(14)13(11-9)7-6-12(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one?
2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 63561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).