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

C24H21BrN4O3 — CID 56670012

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

N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56670012) has the molecular formula C24H21BrN4O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• PubChem CID: 56670012
• Molecular Formula: C24H21BrN4O3
• Molecular Weight: 493.36 g/mol
• Exact Mass: 492.08
• IUPAC Name: N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• SMILES: COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)C(c3ccncc3)C1C2
• InChI: InChI=1S/C24H21BrN4O3/c1-31-20-12-15-11-19-22(18(15)13-21(20)32-2)28-29(23(19)14-7-9-26-10-8-14)24(30)27-17-5-3-16(25)4-6-17/h3-10,12-13,19,23H,11H2,1-2H3,(H,27,30)
• InChIKey: MXHBTROZYTUIFR-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 76.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.36
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56670012) is N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

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

The canonical SMILES for N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)C(c3ccncc3)C1C2.

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

The InChIKey is MXHBTROZYTUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3/c1-31-20-12-15-11-19-22(18(15)13-21(20)32-2)28-29(23(19)14-7-9-26-10-8-14)24(30)27-17-5-3-16(25)4-6-17/h3-10,12-13,19,23H,11H2,1-2H3,(H,27,30).

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

N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 493.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56670012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).