5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one

C18H21N3O — CID 155773781

IUPAC5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1ccccn1
InChIInChI=1S/C18H21N3O/c22-17-8-15(20-21(17)16-3-1-2-4-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2
InChIKeyZVUSXQIKGJNWQN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.39
Rot. Bonds2

About 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one

5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 155773781) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID155773781
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1ccccn1
InChIInChI=1S/C18H21N3O/c22-17-8-15(20-21(17)16-3-1-2-4-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2
InChIKeyZVUSXQIKGJNWQN-UHFFFAOYSA-N
XLogP3.39
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one 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-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one (CID 155773781) is 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one is O=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1ccccn1.
What is the InChIKey of 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is ZVUSXQIKGJNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-17-8-15(20-21(17)16-3-1-2-4-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2.
What are the key properties of 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 295.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 155773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).