4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one

C15H19N3O — CID 63353904

IUPAC4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one
SMILESCc1ccc(-n2c(=O)c(N)c(C3CC3)n2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-4-7-12(10(2)8-9)18-15(19)13(16)14(17(18)3)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3
InChIKeyUPBNXGGSOUKBQT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.25
Rot. Bonds2

About 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one

4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one (PubChem CID 63353904) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one
PubChem CID63353904
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one
SMILESCc1ccc(-n2c(=O)c(N)c(C3CC3)n2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-9-4-7-12(10(2)8-9)18-15(19)13(16)14(17(18)3)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3
InChIKeyUPBNXGGSOUKBQT-UHFFFAOYSA-N
XLogP2.25
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-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-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one (CID 63353904) is 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one is Cc1ccc(-n2c(=O)c(N)c(C3CC3)n2C)c(C)c1.
What is the InChIKey of 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one?
The InChIKey is UPBNXGGSOUKBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-4-7-12(10(2)8-9)18-15(19)13(16)14(17(18)3)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3.
What are the key properties of 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one?
4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one is sourced from PubChem (CID 63353904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).