(5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone

C29H20Br2N4O2 — CID 71854068

About (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone

(5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 71854068) has the molecular formula C29H20Br2N4O2 and a molecular weight of 616.31 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 71854068
• Molecular Formula: C29H20Br2N4O2
• Molecular Weight: 616.31 g/mol
• Exact Mass: 614.00
• IUPAC Name: (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone
• SMILES: O=C(c1ccc(Br)o1)N1N=C(c2cccc(Br)c2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C29H20Br2N4O2/c30-21-11-7-10-20(16-21)24-17-25(35(32-24)29(36)26-14-15-27(31)37-26)23-18-34(22-12-5-2-6-13-22)33-28(23)19-8-3-1-4-9-19/h1-16,18,25H,17H2
• InChIKey: VTRJMOJFABJJIO-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 63.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.31
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone (CID 71854068) is (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccc(Br)o1)N1N=C(c2cccc(Br)c2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is VTRJMOJFABJJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Br2N4O2/c30-21-11-7-10-20(16-21)24-17-25(35(32-24)29(36)26-14-15-27(31)37-26)23-18-34(22-12-5-2-6-13-22)33-28(23)19-8-3-1-4-9-19/h1-16,18,25H,17H2.

What are the key properties of (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone?

(5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 616.31 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromofuran-2-yl)-[5-(3-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 71854068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).