4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine

C12H19N3 — CID 79879238

IUPAC4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCc1cc(C=C2CCNCC2)n(C)n1
InChIInChI=1S/C12H19N3/c1-3-11-9-12(15(2)14-11)8-10-4-6-13-7-5-10/h8-9,13H,3-7H2,1-2H3
InChIKeyRDLZNBYWQLTMPP-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.75
Rot. Bonds2

About 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine

4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine (PubChem CID 79879238) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine
PubChem CID79879238
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCc1cc(C=C2CCNCC2)n(C)n1
InChIInChI=1S/C12H19N3/c1-3-11-9-12(15(2)14-11)8-10-4-6-13-7-5-10/h8-9,13H,3-7H2,1-2H3
InChIKeyRDLZNBYWQLTMPP-UHFFFAOYSA-N
XLogP1.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine (CID 79879238) is 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine is CCc1cc(C=C2CCNCC2)n(C)n1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine?
The InChIKey is RDLZNBYWQLTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-11-9-12(15(2)14-11)8-10-4-6-13-7-5-10/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine?
4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine has a molecular weight of 205.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine is sourced from PubChem (CID 79879238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).