5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one

C17H17N3O — CID 154085346

IUPAC5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
SMILESCn1c(N)c(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-19-16(18)15(12-13-8-4-2-5-9-13)17(21)20(19)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3
InChIKeyXEMIIKIRZBWBCE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.35
Rot. Bonds3

About 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one

5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one (PubChem CID 154085346) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
PubChem CID154085346
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
SMILESCn1c(N)c(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-19-16(18)15(12-13-8-4-2-5-9-13)17(21)20(19)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3
InChIKeyXEMIIKIRZBWBCE-UHFFFAOYSA-N
XLogP2.35
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide
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benzyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-ethylazanium
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2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060
4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 43163639
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
CID 118337592
5-benzyl-6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate
CID 2783615
benzylbenzene;ethane;methanamine
CID 54117827
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
CID 175754430
CID 175754430
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one (CID 154085346) is 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one is Cn1c(N)c(Cc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one?
The InChIKey is XEMIIKIRZBWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-16(18)15(12-13-8-4-2-5-9-13)17(21)20(19)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3.
What are the key properties of 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one?
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one has a molecular weight of 279.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 154085346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).