1-(3-amino-4-pyrazol-1-ylphenyl)ethanone

C11H11N3O — CID 124702914

IUPAC1-(3-amino-4-pyrazol-1-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-n2cccn2)c(N)c1
InChIInChI=1S/C11H11N3O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-7H,12H2,1H3
InChIKeyLGDGFUHKTLFAKE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone

1-(3-amino-4-pyrazol-1-ylphenyl)ethanone (PubChem CID 124702914) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-pyrazol-1-ylphenyl)ethanone
PubChem CID124702914
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(3-amino-4-pyrazol-1-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-n2cccn2)c(N)c1
InChIInChI=1S/C11H11N3O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-7H,12H2,1H3
InChIKeyLGDGFUHKTLFAKE-UHFFFAOYSA-N
XLogP1.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone (CID 124702914) is 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone is CC(=O)c1ccc(-n2cccn2)c(N)c1.
What is the InChIKey of 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone?
The InChIKey is LGDGFUHKTLFAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-7H,12H2,1H3.
What are the key properties of 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone?
1-(3-amino-4-pyrazol-1-ylphenyl)ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyrazol-1-ylphenyl)ethanone is sourced from PubChem (CID 124702914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).