1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone

C11H11N3O — CID 90435469

IUPAC1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(N)n2)cc1
InChIInChI=1S/C11H11N3O/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13-14/h2-7H,1H3,(H2,12,13)
InChIKeyCYISAXDQUFBJQN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone

1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone (PubChem CID 90435469) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone
PubChem CID90435469
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(N)n2)cc1
InChIInChI=1S/C11H11N3O/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13-14/h2-7H,1H3,(H2,12,13)
InChIKeyCYISAXDQUFBJQN-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone (CID 90435469) is 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone is CC(=O)c1ccc(-n2ccc(N)n2)cc1.
What is the InChIKey of 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone?
The InChIKey is CYISAXDQUFBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(15)9-2-4-10(5-3-9)14-7-6-11(12)13-14/h2-7H,1H3,(H2,12,13).
What are the key properties of 1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone?
1-[4-(3-aminopyrazol-1-yl)phenyl]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-[4-(3-aminopyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 90435469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).