2-[(1-methylpyrazol-3-yl)methylidene]piperidine

C10H15N3 — CID 141119282

IUPAC2-[(1-methylpyrazol-3-yl)methylidene]piperidine
SMILESCn1ccc(C=C2CCCCN2)n1
InChIInChI=1S/C10H15N3/c1-13-7-5-10(12-13)8-9-4-2-3-6-11-9/h5,7-8,11H,2-4,6H2,1H3
InChIKeyVDHDHDCWIQAUOZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.53
Rot. Bonds1

About 2-[(1-methylpyrazol-3-yl)methylidene]piperidine

2-[(1-methylpyrazol-3-yl)methylidene]piperidine (PubChem CID 141119282) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylidene]piperidine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylidene]piperidine
PubChem CID141119282
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[(1-methylpyrazol-3-yl)methylidene]piperidine
SMILESCn1ccc(C=C2CCCCN2)n1
InChIInChI=1S/C10H15N3/c1-13-7-5-10(12-13)8-9-4-2-3-6-11-9/h5,7-8,11H,2-4,6H2,1H3
InChIKeyVDHDHDCWIQAUOZ-UHFFFAOYSA-N
XLogP1.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylidene]piperidine?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylidene]piperidine (CID 141119282) is 2-[(1-methylpyrazol-3-yl)methylidene]piperidine.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylidene]piperidine?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylidene]piperidine is Cn1ccc(C=C2CCCCN2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylidene]piperidine?
The InChIKey is VDHDHDCWIQAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-7-5-10(12-13)8-9-4-2-3-6-11-9/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylidene]piperidine?
2-[(1-methylpyrazol-3-yl)methylidene]piperidine has a molecular weight of 177.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylidene]piperidine is sourced from PubChem (CID 141119282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).