2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine

C11H17N3 — CID 141119212

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine
SMILESCc1cc(C=C2CCCCN2)n(C)n1
InChIInChI=1S/C11H17N3/c1-9-7-11(14(2)13-9)8-10-5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3
InChIKeyKFNMZFFHEWHQMT-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.84
Rot. Bonds1

About 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine

2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine (PubChem CID 141119212) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine
PubChem CID141119212
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine
SMILESCc1cc(C=C2CCCCN2)n(C)n1
InChIInChI=1S/C11H17N3/c1-9-7-11(14(2)13-9)8-10-5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3
InChIKeyKFNMZFFHEWHQMT-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine (CID 141119212) is 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine is Cc1cc(C=C2CCCCN2)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine?
The InChIKey is KFNMZFFHEWHQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-7-11(14(2)13-9)8-10-5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine?
2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine has a molecular weight of 191.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidine is sourced from PubChem (CID 141119212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).