4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one

C9H18N4O — CID 23104215

IUPAC4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one
SMILESCCNc1c(N)c(=O)n(CC)n1CC
InChIInChI=1S/C9H18N4O/c1-4-11-8-7(10)9(14)13(6-3)12(8)5-2/h11H,4-6,10H2,1-3H3
InChIKeyUEENFUOPPVEIBV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.70
Rot. Bonds4

About 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one

4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one (PubChem CID 23104215) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one
PubChem CID23104215
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one
SMILESCCNc1c(N)c(=O)n(CC)n1CC
InChIInChI=1S/C9H18N4O/c1-4-11-8-7(10)9(14)13(6-3)12(8)5-2/h11H,4-6,10H2,1-3H3
InChIKeyUEENFUOPPVEIBV-UHFFFAOYSA-N
XLogP0.70
TPSA64.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1,2-diethyl-5-(ethylamino)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-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one (CID 23104215) is 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one is CCNc1c(N)c(=O)n(CC)n1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one?
The InChIKey is UEENFUOPPVEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-11-8-7(10)9(14)13(6-3)12(8)5-2/h11H,4-6,10H2,1-3H3.
What are the key properties of 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one?
4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one is sourced from PubChem (CID 23104215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).