2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone

C11H12N4O — CID 110837869

IUPAC2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone
SMILESNc1ccnn1C(=O)C(N)c1ccccc1
InChIInChI=1S/C11H12N4O/c12-9-6-7-14-15(9)11(16)10(13)8-4-2-1-3-5-8/h1-7,10H,12-13H2
InChIKeyGSMIFVTUENPMBY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone

2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone (PubChem CID 110837869) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone
PubChem CID110837869
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone
SMILESNc1ccnn1C(=O)C(N)c1ccccc1
InChIInChI=1S/C11H12N4O/c12-9-6-7-14-15(9)11(16)10(13)8-4-2-1-3-5-8/h1-7,10H,12-13H2
InChIKeyGSMIFVTUENPMBY-UHFFFAOYSA-N
XLogP0.81
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone (CID 110837869) is 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone is Nc1ccnn1C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone?
The InChIKey is GSMIFVTUENPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-9-6-7-14-15(9)11(16)10(13)8-4-2-1-3-5-8/h1-7,10H,12-13H2.
What are the key properties of 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone?
2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone has a molecular weight of 216.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 110837869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).