2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one

C12H15N3O2 — CID 84726827

IUPAC2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccccc1C1=NN(CCN)C(=O)C1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-3-2-4-9(11)10-8-12(16)15(14-10)7-6-13/h2-5H,6-8,13H2,1H3
InChIKeyUZICCQHHILUYCN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.59
Rot. Bonds4

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

2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one (PubChem CID 84726827) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one
PubChem CID84726827
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccccc1C1=NN(CCN)C(=O)C1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-3-2-4-9(11)10-8-12(16)15(14-10)7-6-13/h2-5H,6-8,13H2,1H3
InChIKeyUZICCQHHILUYCN-UHFFFAOYSA-N
XLogP0.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one (CID 84726827) is 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one is COc1ccccc1C1=NN(CCN)C(=O)C1.
What is the InChIKey of 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one?
The InChIKey is UZICCQHHILUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-5-3-2-4-9(11)10-8-12(16)15(14-10)7-6-13/h2-5H,6-8,13H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one?
2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 84726827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).