1-(1-adamantyl)indazole

C17H20N2 — CID 4170794

IUPAC1-(1-adamantyl)indazole
SMILESc1ccc2c(c1)cnn2C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20N2/c1-2-4-16-15(3-1)11-18-19(16)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2
InChIKeyULHLJIZWSJAFJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.96
Rot. Bonds1

About 1-(1-adamantyl)indazole

1-(1-adamantyl)indazole (PubChem CID 4170794) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-adamantyl)indazole.

Molecular Properties

Compound Name1-(1-adamantyl)indazole
PubChem CID4170794
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(1-adamantyl)indazole
SMILESc1ccc2c(c1)cnn2C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20N2/c1-2-4-16-15(3-1)11-18-19(16)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2
InChIKeyULHLJIZWSJAFJI-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)indazole 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 1-(1-adamantyl)indazole?
The IUPAC name of 1-(1-adamantyl)indazole (CID 4170794) is 1-(1-adamantyl)indazole.
What is the SMILES notation for 1-(1-adamantyl)indazole?
The canonical SMILES for 1-(1-adamantyl)indazole is c1ccc2c(c1)cnn2C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)indazole?
The InChIKey is ULHLJIZWSJAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-16-15(3-1)11-18-19(16)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2.
What are the key properties of 1-(1-adamantyl)indazole?
1-(1-adamantyl)indazole has a molecular weight of 252.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)indazole is sourced from PubChem (CID 4170794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).