5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole

C19H15Cl2N5O — CID 141279789

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole (PubChem CID 141279789) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole
• PubChem CID: 141279789
• Molecular Formula: C19H15Cl2N5O
• Molecular Weight: 400.27 g/mol
• Exact Mass: 399.07
• IUPAC Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole
• SMILES: CC(Oc1ccc2[nH]nc(C=Cc3cn[nH]c3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C19H15Cl2N5O/c1-11(19-15(20)9-22-10-16(19)21)27-13-3-5-18-14(6-13)17(25-26-18)4-2-12-7-23-24-8-12/h2-11H,1H3,(H,23,24)(H,25,26)
• InChIKey: HFPHWJYBNTYGTF-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.27
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole?

The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole (CID 141279789) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole.

What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole?

The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(C=Cc3cn[nH]c3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole?

The InChIKey is HFPHWJYBNTYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-11(19-15(20)9-22-10-16(19)21)27-13-3-5-18-14(6-13)17(25-26-18)4-2-12-7-23-24-8-12/h2-11H,1H3,(H,23,24)(H,25,26).

What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole?

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole has a molecular weight of 400.27 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[2-(1H-pyrazol-4-yl)ethenyl]-1H-indazole is sourced from PubChem (CID 141279789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).