2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one

C7H12N4O — CID 83617922

IUPAC2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)n1nccc1N
InChIInChI=1S/C7H12N4O/c1-7(2,9)6(12)11-5(8)3-4-10-11/h3-4H,8-9H2,1-2H3
InChIKeyLEHBBXIJIPAYNB-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.16
Rot. Bonds1

About 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one

2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one (PubChem CID 83617922) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one
PubChem CID83617922
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)n1nccc1N
InChIInChI=1S/C7H12N4O/c1-7(2,9)6(12)11-5(8)3-4-10-11/h3-4H,8-9H2,1-2H3
InChIKeyLEHBBXIJIPAYNB-UHFFFAOYSA-N
XLogP-0.16
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.16
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-methylpropan-1-one?
The IUPAC name of 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one (CID 83617922) is 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)n1nccc1N.
What is the InChIKey of 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one?
The InChIKey is LEHBBXIJIPAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(2,9)6(12)11-5(8)3-4-10-11/h3-4H,8-9H2,1-2H3.
What are the key properties of 2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one?
2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one has a molecular weight of 168.20 g/mol, XLogP of -0.16, 1 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-methylpropan-1-one is sourced from PubChem (CID 83617922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).