4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one

C13H23N3O — CID 113390067

IUPAC4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
SMILESCC(C)Cn1c(=O)c(N)c(C2CCCC2)n1C
InChIInChI=1S/C13H23N3O/c1-9(2)8-16-13(17)11(14)12(15(16)3)10-6-4-5-7-10/h9-10H,4-8,14H2,1-3H3
InChIKeyVAIRJWMOCOMFMU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one

4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one (PubChem CID 113390067) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
PubChem CID113390067
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
SMILESCC(C)Cn1c(=O)c(N)c(C2CCCC2)n1C
InChIInChI=1S/C13H23N3O/c1-9(2)8-16-13(17)11(14)12(15(16)3)10-6-4-5-7-10/h9-10H,4-8,14H2,1-3H3
InChIKeyVAIRJWMOCOMFMU-UHFFFAOYSA-N
XLogP2.08
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)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-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one (CID 113390067) is 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one is CC(C)Cn1c(=O)c(N)c(C2CCCC2)n1C.
What is the InChIKey of 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one?
The InChIKey is VAIRJWMOCOMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)8-16-13(17)11(14)12(15(16)3)10-6-4-5-7-10/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one?
4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one has a molecular weight of 237.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one is sourced from PubChem (CID 113390067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).