4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one

C12H24N4O — CID 63973403

IUPAC4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(CCN(C)C)C(=O)C1CCN
InChIInChI=1S/C12H24N4O/c1-9(2)11-10(5-6-13)12(17)16(14-11)8-7-15(3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyIBVJHWLTHZPMOI-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.37
Rot. Bonds6

About 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one

4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one (PubChem CID 63973403) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one
PubChem CID63973403
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(CCN(C)C)C(=O)C1CCN
InChIInChI=1S/C12H24N4O/c1-9(2)11-10(5-6-13)12(17)16(14-11)8-7-15(3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyIBVJHWLTHZPMOI-UHFFFAOYSA-N
XLogP0.37
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one
CID 63972249
4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
CID 63973008
2-[2-(dimethylamino)ethyl]-5-ethyl-4-methyl-4H-pyrazol-3-one
CID 63561650
4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one
CID 63972248
4-(3-aminopropyl)-5-propan-2-yl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822578
5-(difluoromethyl)-2-[2-(dimethylamino)ethyl]-4H-pyrazol-3-one
CID 62881887
2-[4-(aminomethyl)-5-propan-2-ylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66439965
4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one
CID 63971450
2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
CID 82593304
(3R)-3-amino-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 95354967
1-[2-(dimethylamino)ethyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 62687669
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one (CID 63973403) is 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one is CC(C)C1=NN(CCN(C)C)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is IBVJHWLTHZPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(2)11-10(5-6-13)12(17)16(14-11)8-7-15(3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one?
4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 240.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 63973403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).