4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one

C11H13N3O — CID 83881501

IUPAC4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCNc1c[nH]n(-c2ccccc2C)c1=O
InChIInChI=1S/C11H13N3O/c1-8-5-3-4-6-10(8)14-11(15)9(12-2)7-13-14/h3-7,12-13H,1-2H3
InChIKeyHIKHDZAAPZHMDB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.52
Rot. Bonds2

About 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one

4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one (PubChem CID 83881501) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one
PubChem CID83881501
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCNc1c[nH]n(-c2ccccc2C)c1=O
InChIInChI=1S/C11H13N3O/c1-8-5-3-4-6-10(8)14-11(15)9(12-2)7-13-14/h3-7,12-13H,1-2H3
InChIKeyHIKHDZAAPZHMDB-UHFFFAOYSA-N
XLogP1.52
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
4-methyl-2-phenyl-1H-pyrazol-3-one
CID 12799760
N,2-dimethylaniline
CID 163768915
2-(2-methylphenyl)-1H-benzo[f]indazole-3,4,9-trione
CID 167525461
5-acetyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 83887056
N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide
CID 91733255
5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
CID 105486750
acetaldehyde;N,2-dimethylaniline;ethane
CID 143317223
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
CID 83887677
ethyl 2-(2-chlorophenyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 58158628
3-(2-methylphenyl)-1,3,4-thiadiazolidine-2,5-dithione
CID 2402616

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one (CID 83881501) is 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one is CNc1c[nH]n(-c2ccccc2C)c1=O.
What is the InChIKey of 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is HIKHDZAAPZHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-5-3-4-6-10(8)14-11(15)9(12-2)7-13-14/h3-7,12-13H,1-2H3.
What are the key properties of 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one?
4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-(2-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83881501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).