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

C13H17N3O — CID 43542627

IUPAC4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one
SMILESCc1cc(C)cc(-n2c(=O)c(N)c(C)n2C)c1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)7-11(6-8)16-13(17)12(14)10(3)15(16)4/h5-7H,14H2,1-4H3
InChIKeyYAAOPOGVMJQNMY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds1

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

4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one (PubChem CID 43542627) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one
PubChem CID43542627
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one
SMILESCc1cc(C)cc(-n2c(=O)c(N)c(C)n2C)c1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)7-11(6-8)16-13(17)12(14)10(3)15(16)4/h5-7H,14H2,1-4H3
InChIKeyYAAOPOGVMJQNMY-UHFFFAOYSA-N
XLogP1.68
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Aminoantipyrine
CID 2151
4-Aminoantipyrine hydrochloride
CID 72639
1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
CID 245744
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methylphenyl)urea
CID 909097
1,2-dihydro-1,5-dimethyl-2-(p-tolyl)-3H-pyrazol-3-one
CID 91854
4-(4-Amino-2-methyl-phenylazo)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
CID 3118906
(4E)-5-methyl-4-[2-(3-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 811779
Cinnamamide, N-antipyrinyl-
CID 754050
2-(diethylamino)-N-(3,5-dimethylphenyl)acetamide
CID 53953
1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one
CID 223123
4-(Benzylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 544876
2-(Diethylamino)-N-(3,5-dimethylphenyl)ethanimidic acid--hydrogen chloride (1/1)
CID 53952

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one?
The IUPAC name of 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one (CID 43542627) is 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one is Cc1cc(C)cc(-n2c(=O)c(N)c(C)n2C)c1.
What is the InChIKey of 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one?
The InChIKey is YAAOPOGVMJQNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-9(2)7-11(6-8)16-13(17)12(14)10(3)15(16)4/h5-7H,14H2,1-4H3.
What are the key properties of 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one?
4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one is sourced from PubChem (CID 43542627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).