6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C22H17N11O — CID 71267328

About 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71267328) has the molecular formula C22H17N11O and a molecular weight of 451.45 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
• PubChem CID: 71267328
• Molecular Formula: C22H17N11O
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.16
• IUPAC Name: 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc(-c3nn[nH]n3)c2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
• InChI: InChI=1S/C22H17N11O/c34-22(20-18-5-4-14(7-19(18)27-28-20)16-8-23-24-9-16)26-17-10-25-33(12-17)11-13-2-1-3-15(6-13)21-29-31-32-30-21/h1-10,12H,11H2,(H,23,24)(H,26,34)(H,27,28)(H,29,30,31,32)
• InChIKey: YFLXZYJMZZXNKX-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 158.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The IUPAC name of 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71267328) is 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(-c3nn[nH]n3)c2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.

What is the InChIKey of 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The InChIKey is YFLXZYJMZZXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N11O/c34-22(20-18-5-4-14(7-19(18)27-28-20)16-8-23-24-9-16)26-17-10-25-33(12-17)11-13-2-1-3-15(6-13)21-29-31-32-30-21/h1-10,12H,11H2,(H,23,24)(H,26,34)(H,27,28)(H,29,30,31,32).

What are the key properties of 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).