3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C15H23FN4O — CID 136569091

IUPAC3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCn1cccn1)N1C2CCC1CC(CCF)C2
InChIInChI=1S/C15H23FN4O/c16-5-4-12-10-13-2-3-14(11-12)20(13)15(21)17-7-9-19-8-1-6-18-19/h1,6,8,12-14H,2-5,7,9-11H2,(H,17,21)
InChIKeySNIBHVZJMDQZHG-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.20
Rot. Bonds5

About 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 136569091) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID136569091
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCn1cccn1)N1C2CCC1CC(CCF)C2
InChIInChI=1S/C15H23FN4O/c16-5-4-12-10-13-2-3-14(11-12)20(13)15(21)17-7-9-19-8-1-6-18-19/h1,6,8,12-14H,2-5,7,9-11H2,(H,17,21)
InChIKeySNIBHVZJMDQZHG-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide 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 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 136569091) is 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCCn1cccn1)N1C2CCC1CC(CCF)C2.
What is the InChIKey of 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SNIBHVZJMDQZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c16-5-4-12-10-13-2-3-14(11-12)20(13)15(21)17-7-9-19-8-1-6-18-19/h1,6,8,12-14H,2-5,7,9-11H2,(H,17,21).
What are the key properties of 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-N-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 136569091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).