4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one

C13H17N3O — CID 103995030

IUPAC4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1N
InChIInChI=1S/C13H17N3O/c1-4-11-12(14)13(17)16(15-11)10-6-8(2)5-9(3)7-10/h5-7,15H,4,14H2,1-3H3
InChIKeyJAXLCMFSAARACG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.93
Rot. Bonds2

About 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one

4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one (PubChem CID 103995030) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
PubChem CID103995030
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1N
InChIInChI=1S/C13H17N3O/c1-4-11-12(14)13(17)16(15-11)10-6-8(2)5-9(3)7-10/h5-7,15H,4,14H2,1-3H3
InChIKeyJAXLCMFSAARACG-UHFFFAOYSA-N
XLogP1.93
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-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

Related Compounds

4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 113363214
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
4-amino-2-(3,5-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 103995029
4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 103995032
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 66022107
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995179
4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363132
4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
CID 103995437
4-amino-2-(4-bromophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363176
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one (CID 103995030) is 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one is CCc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one?
The InChIKey is JAXLCMFSAARACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-11-12(14)13(17)16(15-11)10-6-8(2)5-9(3)7-10/h5-7,15H,4,14H2,1-3H3.
What are the key properties of 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one?
4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).