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

C10H20N4O — CID 23104198

IUPAC4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one
SMILESCCn1c(NC(C)C)c(N)c(=O)n1CC
InChIInChI=1S/C10H20N4O/c1-5-13-9(12-7(3)4)8(11)10(15)14(13)6-2/h7,12H,5-6,11H2,1-4H3
InChIKeyZQOVRRLQCMDOMA-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.09
Rot. Bonds4

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

4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one (PubChem CID 23104198) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one
PubChem CID23104198
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one
SMILESCCn1c(NC(C)C)c(N)c(=O)n1CC
InChIInChI=1S/C10H20N4O/c1-5-13-9(12-7(3)4)8(11)10(15)14(13)6-2/h7,12H,5-6,11H2,1-4H3
InChIKeyZQOVRRLQCMDOMA-UHFFFAOYSA-N
XLogP1.09
TPSA64.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1,2-diethyl-5-(propan-2-ylamino)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-(propan-2-ylamino)pyrazol-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one (CID 23104198) is 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one is CCn1c(NC(C)C)c(N)c(=O)n1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one?
The InChIKey is ZQOVRRLQCMDOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-5-13-9(12-7(3)4)8(11)10(15)14(13)6-2/h7,12H,5-6,11H2,1-4H3.
What are the key properties of 4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one?
4-amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one has a molecular weight of 212.30 g/mol, XLogP of 1.09, 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-(propan-2-ylamino)pyrazol-3-one is sourced from PubChem (CID 23104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).