4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one

C10H19N3O — CID 63973008

IUPAC4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
SMILESCC1=NN(CC(C)C)C(=O)C1CCN
InChIInChI=1S/C10H19N3O/c1-7(2)6-13-10(14)9(4-5-11)8(3)12-13/h7,9H,4-6,11H2,1-3H3
InChIKeyMLSRYPHSQXZDRJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.83
Rot. Bonds4

About 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one

4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one (PubChem CID 63973008) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
PubChem CID63973008
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
SMILESCC1=NN(CC(C)C)C(=O)C1CCN
InChIInChI=1S/C10H19N3O/c1-7(2)6-13-10(14)9(4-5-11)8(3)12-13/h7,9H,4-6,11H2,1-3H3
InChIKeyMLSRYPHSQXZDRJ-UHFFFAOYSA-N
XLogP0.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one (CID 63973008) is 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one is CC1=NN(CC(C)C)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one?
The InChIKey is MLSRYPHSQXZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)6-13-10(14)9(4-5-11)8(3)12-13/h7,9H,4-6,11H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one?
4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).