3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one

C10H16N4O — CID 56828034

IUPAC3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
SMILESCc1cc(N2CCCC(N)C2=O)n(C)n1
InChIInChI=1S/C10H16N4O/c1-7-6-9(13(2)12-7)14-5-3-4-8(11)10(14)15/h6,8H,3-5,11H2,1-2H3
InChIKeyHRUGBDOZVXLAIU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.18
Rot. Bonds1

About 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one

3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one (PubChem CID 56828034) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
PubChem CID56828034
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
SMILESCc1cc(N2CCCC(N)C2=O)n(C)n1
InChIInChI=1S/C10H16N4O/c1-7-6-9(13(2)12-7)14-5-3-4-8(11)10(14)15/h6,8H,3-5,11H2,1-2H3
InChIKeyHRUGBDOZVXLAIU-UHFFFAOYSA-N
XLogP0.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one (CID 56828034) is 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one is Cc1cc(N2CCCC(N)C2=O)n(C)n1.
What is the InChIKey of 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The InChIKey is HRUGBDOZVXLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-6-9(13(2)12-7)14-5-3-4-8(11)10(14)15/h6,8H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 56828034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).