[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone

C25H20ClN3O2 — CID 108725948

About [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone

[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone (PubChem CID 108725948) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone.

Molecular Properties

• Compound Name: [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone
• PubChem CID: 108725948
• Molecular Formula: C25H20ClN3O2
• Molecular Weight: 429.91 g/mol
• Exact Mass: 429.12
• IUPAC Name: [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone
• SMILES: O=C(c1cccc(Oc2ccccc2)c1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
• InChI: InChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)24-22-16-29(14-13-23(22)27-28-24)25(30)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-12,15H,13-14,16H2,(H,27,28)
• InChIKey: GTLFFQZOHUAHQU-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.91
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone?

The IUPAC name of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone (CID 108725948) is [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone.

What is the SMILES notation for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone?

The canonical SMILES for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone is O=C(c1cccc(Oc2ccccc2)c1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.

What is the InChIKey of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone?

The InChIKey is GTLFFQZOHUAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)24-22-16-29(14-13-23(22)27-28-24)25(30)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-12,15H,13-14,16H2,(H,27,28).

What are the key properties of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone?

[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone has a molecular weight of 429.91 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone is sourced from PubChem (CID 108725948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).