1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone

C21H18FN3O2 — CID 42455062

About 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone

1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone (PubChem CID 42455062) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
• PubChem CID: 42455062
• Molecular Formula: C21H18FN3O2
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.14
• IUPAC Name: 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)cc1
• InChI: InChI=1S/C21H18FN3O2/c1-13(26)14-6-8-15(9-7-14)21(27)25-11-10-19-17(12-25)20(24-23-19)16-4-2-3-5-18(16)22/h2-9H,10-12H2,1H3,(H,23,24)
• InChIKey: CFCGSWWRSUHGTJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone?

The IUPAC name of 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone (CID 42455062) is 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone?

The canonical SMILES for 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)cc1.

What is the InChIKey of 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone?

The InChIKey is CFCGSWWRSUHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13(26)14-6-8-15(9-7-14)21(27)25-11-10-19-17(12-25)20(24-23-19)16-4-2-3-5-18(16)22/h2-9H,10-12H2,1H3,(H,23,24).

What are the key properties of 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone?

1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone has a molecular weight of 363.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone is sourced from PubChem (CID 42455062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).