2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine

C44H46Cl6IN13O3 — CID 158244720

About 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine

2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine (PubChem CID 158244720) has the molecular formula C44H46Cl6IN13O3 and a molecular weight of 1144.56 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine.

Molecular Properties

• Compound Name: 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine
• PubChem CID: 158244720
• Molecular Formula: C44H46Cl6IN13O3
• Molecular Weight: 1144.56 g/mol
• Exact Mass: 1141.10
• IUPAC Name: 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine
• SMILES: Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(Cl)nccc4n3)CC2)ccc1Cl.Clc1nccc2[nH]ncc12.NN.O=Cc1c(I)ccnc1Cl
• InChI: InChI=1S/C19H19Cl2N5O.C13H16Cl2N2O.C6H3ClINO.C6H4ClN3.H4N2/c1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-11-15-17(23-26)4-5-22-19(15)21;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-6-4(3-10)5(8)1-2-9-6;7-6-4-3-9-10-5(4)1-2-8-6;1-2/h2-5,10-11H,6-9,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H;1-3H,(H,9,10);1-2H2
• InChIKey: GFZAYZJZAJKXMW-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 201.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.56
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine?

The IUPAC name of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine (CID 158244720) is 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine.

What is the SMILES notation for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine?

The canonical SMILES for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine is Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(Cl)nccc4n3)CC2)ccc1Cl.Clc1nccc2[nH]ncc12.NN.O=Cc1c(I)ccnc1Cl.

What is the InChIKey of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine?

The InChIKey is GFZAYZJZAJKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O.C13H16Cl2N2O.C6H3ClINO.C6H4ClN3.H4N2/c1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-11-15-17(23-26)4-5-22-19(15)21;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-6-4(3-10)5(8)1-2-9-6;7-6-4-3-9-10-5(4)1-2-8-6;1-2/h2-5,10-11H,6-9,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H;1-3H,(H,9,10);1-2H2.

What are the key properties of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine?

2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine has a molecular weight of 1144.56 g/mol, XLogP of 8.51, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-chloropyrazolo[4,3-c]pyridin-2-yl)ethanone;4-chloro-1H-pyrazolo[4,5-c]pyridine;hydrazine is sourced from PubChem (CID 158244720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).