2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine

C15H15N3 — CID 123892688

IUPAC2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
SMILESCC=c1nccc(C#Cc2cnn(C)c2)c1=CC
InChIInChI=1S/C15H15N3/c1-4-14-13(8-9-16-15(14)5-2)7-6-12-10-17-18(3)11-12/h4-5,8-11H,1-3H3
InChIKeyATWHSCFVPKKEPX-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds

About 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine

2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine (PubChem CID 123892688) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
PubChem CID123892688
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
SMILESCC=c1nccc(C#Cc2cnn(C)c2)c1=CC
InChIInChI=1S/C15H15N3/c1-4-14-13(8-9-16-15(14)5-2)7-6-12-10-17-18(3)11-12/h4-5,8-11H,1-3H3
InChIKeyATWHSCFVPKKEPX-UHFFFAOYSA-N
XLogP0.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
The IUPAC name of 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine (CID 123892688) is 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine.
What is the SMILES notation for 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
The canonical SMILES for 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine is CC=c1nccc(C#Cc2cnn(C)c2)c1=CC.
What is the InChIKey of 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
The InChIKey is ATWHSCFVPKKEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-4-14-13(8-9-16-15(14)5-2)7-6-12-10-17-18(3)11-12/h4-5,8-11H,1-3H3.
What are the key properties of 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine has a molecular weight of 237.31 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine is sourced from PubChem (CID 123892688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).