3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C17H16ClN5O2 — CID 108725805

About 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 108725805) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
• PubChem CID: 108725805
• Molecular Formula: C17H16ClN5O2
• Molecular Weight: 357.80 g/mol
• Exact Mass: 357.10
• IUPAC Name: 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
• SMILES: O=C1CCC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)=NN1
• InChI: InChI=1S/C17H16ClN5O2/c18-11-3-1-2-10(8-11)16-12-9-23(7-6-13(12)19-22-16)17(25)14-4-5-15(24)21-20-14/h1-3,8H,4-7,9H2,(H,19,22)(H,21,24)
• InChIKey: TXGHGLLQKPRBKJ-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 90.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.80
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?

The IUPAC name of 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 108725805) is 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?

The canonical SMILES for 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)=NN1.

What is the InChIKey of 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?

The InChIKey is TXGHGLLQKPRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-11-3-1-2-10(8-11)16-12-9-23(7-6-13(12)19-22-16)17(25)14-4-5-15(24)21-20-14/h1-3,8H,4-7,9H2,(H,19,22)(H,21,24).

What are the key properties of 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?

3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 357.80 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 108725805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).