2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole

C21H18N14 — CID 141281799

About 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole

2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole (PubChem CID 141281799) has the molecular formula C21H18N14 and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole.

Molecular Properties

• Compound Name: 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole
• PubChem CID: 141281799
• Molecular Formula: C21H18N14
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.18
• IUPAC Name: 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole
• SMILES: c1cnn(C2=C(c3ccn[nH]3)C(c3cn[nH]c3)(c3ncc[nH]3)N(n3ccnc3)N2c2cnc[nH]2)c1
• InChI: InChI=1S/C21H18N14/c1-3-30-33(8-1)19-18(16-2-4-27-31-16)21(15-10-28-29-11-15,20-24-5-6-25-20)35(32-9-7-22-14-32)34(19)17-12-23-13-26-17/h1-14H,(H,23,26)(H,24,25)(H,27,31)(H,28,29)
• InChIKey: JKBOTDFHLGURBS-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 156.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole?

The IUPAC name of 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole (CID 141281799) is 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole.

What is the SMILES notation for 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole?

The canonical SMILES for 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole is c1cnn(C2=C(c3ccn[nH]3)C(c3cn[nH]c3)(c3ncc[nH]3)N(n3ccnc3)N2c2cnc[nH]2)c1.

What is the InChIKey of 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole?

The InChIKey is JKBOTDFHLGURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N14/c1-3-30-33(8-1)19-18(16-2-4-27-31-16)21(15-10-28-29-11-15,20-24-5-6-25-20)35(32-9-7-22-14-32)34(19)17-12-23-13-26-17/h1-14H,(H,23,26)(H,24,25)(H,27,31)(H,28,29).

What are the key properties of 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole?

2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole has a molecular weight of 466.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole is sourced from PubChem (CID 141281799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).