N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C25H21BrClN3O3 — CID 56680162

About N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56680162) has the molecular formula C25H21BrClN3O3 and a molecular weight of 526.82 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• PubChem CID: 56680162
• Molecular Formula: C25H21BrClN3O3
• Molecular Weight: 526.82 g/mol
• Exact Mass: 525.05
• IUPAC Name: N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• SMILES: COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)C(c3ccccc3Cl)C1C2
• InChI: InChI=1S/C25H21BrClN3O3/c1-32-21-12-14-11-19-23(18(14)13-22(21)33-2)29-30(24(19)17-5-3-4-6-20(17)27)25(31)28-16-9-7-15(26)8-10-16/h3-10,12-13,19,24H,11H2,1-2H3,(H,28,31)
• InChIKey: ORWQLXZKBORKEK-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.82
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?

The IUPAC name of N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56680162) is N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)C(c3ccccc3Cl)C1C2.

What is the InChIKey of N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?

The InChIKey is ORWQLXZKBORKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrClN3O3/c1-32-21-12-14-11-19-23(18(14)13-22(21)33-2)29-30(24(19)17-5-3-4-6-20(17)27)25(31)28-16-9-7-15(26)8-10-16/h3-10,12-13,19,24H,11H2,1-2H3,(H,28,31).

What are the key properties of N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?

N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 526.82 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56680162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).