5-(2,5-dihydropyridin-4-yl)-1-ethylindazole

C14H15N3 — CID 67007467

IUPAC5-(2,5-dihydropyridin-4-yl)-1-ethylindazole
SMILESCCn1ncc2cc(C3=CCN=CC3)ccc21
InChIInChI=1S/C14H15N3/c1-2-17-14-4-3-12(9-13(14)10-16-17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyYUZGJQFPYZGQKS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.91
Rot. Bonds2

About 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole

5-(2,5-dihydropyridin-4-yl)-1-ethylindazole (PubChem CID 67007467) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole.

Molecular Properties

Compound Name5-(2,5-dihydropyridin-4-yl)-1-ethylindazole
PubChem CID67007467
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name5-(2,5-dihydropyridin-4-yl)-1-ethylindazole
SMILESCCn1ncc2cc(C3=CCN=CC3)ccc21
InChIInChI=1S/C14H15N3/c1-2-17-14-4-3-12(9-13(14)10-16-17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyYUZGJQFPYZGQKS-UHFFFAOYSA-N
XLogP2.91
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole?
The IUPAC name of 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole (CID 67007467) is 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole.
What is the SMILES notation for 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole?
The canonical SMILES for 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole is CCn1ncc2cc(C3=CCN=CC3)ccc21.
What is the InChIKey of 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole?
The InChIKey is YUZGJQFPYZGQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-17-14-4-3-12(9-13(14)10-16-17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole?
5-(2,5-dihydropyridin-4-yl)-1-ethylindazole has a molecular weight of 225.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydropyridin-4-yl)-1-ethylindazole is sourced from PubChem (CID 67007467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).