4-amino-2,4-dimethyl-5-phenylpyrazol-3-one

C11H13N3O — CID 13014952

IUPAC4-amino-2,4-dimethyl-5-phenylpyrazol-3-one
SMILESCN1N=C(c2ccccc2)C(C)(N)C1=O
InChIInChI=1S/C11H13N3O/c1-11(12)9(13-14(2)10(11)15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3
InChIKeyXMNCTLHZJQOZDH-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.58
Rot. Bonds1

About 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one

4-amino-2,4-dimethyl-5-phenylpyrazol-3-one (PubChem CID 13014952) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2,4-dimethyl-5-phenylpyrazol-3-one
PubChem CID13014952
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-amino-2,4-dimethyl-5-phenylpyrazol-3-one
SMILESCN1N=C(c2ccccc2)C(C)(N)C1=O
InChIInChI=1S/C11H13N3O/c1-11(12)9(13-14(2)10(11)15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3
InChIKeyXMNCTLHZJQOZDH-UHFFFAOYSA-N
XLogP0.58
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-5-phenyl-4-sulfanylpyrazol-3-one
CID 118538602
4-bromo-2-methyl-4,5-diphenylpyrazol-3-one
CID 118538432
4-(hydroxyamino)-2,4-dimethyl-5-phenylpyrazol-3-one
CID 118541979
2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
CID 102577871
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
tert-butyl [(1,4-dimethyl-5-oxo-3-phenylpyrazol-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 118542242
4-amino-3,4-diphenyl-1H-pyrazol-5-one
CID 13014951
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
CID 621971
5-(4-tert-butylphenyl)-4-(hydroxyamino)-2,4-dimethylpyrazol-3-one
CID 118537952
2-methyl-2,3-diphenylazirine
CID 13307627
2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one
CID 15586385
1,3,3-trimethyl-5-phenylpyrrol-2-one
CID 132938819

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one?
The IUPAC name of 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one (CID 13014952) is 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one is CN1N=C(c2ccccc2)C(C)(N)C1=O.
What is the InChIKey of 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one?
The InChIKey is XMNCTLHZJQOZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(12)9(13-14(2)10(11)15)8-6-4-3-5-7-8/h3-7H,12H2,1-2H3.
What are the key properties of 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one?
4-amino-2,4-dimethyl-5-phenylpyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,4-dimethyl-5-phenylpyrazol-3-one is sourced from PubChem (CID 13014952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).