4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one

C6H11N3O — CID 82651242

IUPAC4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]cc(CCN)c1=O
InChIInChI=1S/C6H11N3O/c1-9-6(10)5(2-3-7)4-8-9/h4,8H,2-3,7H2,1H3
InChIKeyWIGPLPKWFQBXTB-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.79
Rot. Bonds2

About 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one

4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 82651242) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one
PubChem CID82651242
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]cc(CCN)c1=O
InChIInChI=1S/C6H11N3O/c1-9-6(10)5(2-3-7)4-8-9/h4,8H,2-3,7H2,1H3
InChIKeyWIGPLPKWFQBXTB-UHFFFAOYSA-N
XLogP-0.79
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one (CID 82651242) is 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one is Cn1[nH]cc(CCN)c1=O.
What is the InChIKey of 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is WIGPLPKWFQBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-6(10)5(2-3-7)4-8-9/h4,8H,2-3,7H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one?
4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 82651242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).