2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one

C11H14N2O2 — CID 102801749

IUPAC2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one
SMILESCc1nn(C)cc1C(=O)C1CCCC1=O
InChIInChI=1S/C11H14N2O2/c1-7-9(6-13(2)12-7)11(15)8-4-3-5-10(8)14/h6,8H,3-5H2,1-2H3
InChIKeyOYNUDXKICJBHIO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.28
Rot. Bonds2

About 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one

2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one (PubChem CID 102801749) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one
PubChem CID102801749
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one
SMILESCc1nn(C)cc1C(=O)C1CCCC1=O
InChIInChI=1S/C11H14N2O2/c1-7-9(6-13(2)12-7)11(15)8-4-3-5-10(8)14/h6,8H,3-5H2,1-2H3
InChIKeyOYNUDXKICJBHIO-UHFFFAOYSA-N
XLogP1.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one?
The IUPAC name of 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one (CID 102801749) is 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one?
The canonical SMILES for 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one is Cc1nn(C)cc1C(=O)C1CCCC1=O.
What is the InChIKey of 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one?
The InChIKey is OYNUDXKICJBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-9(6-13(2)12-7)11(15)8-4-3-5-10(8)14/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one?
2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 102801749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).