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

C26H24FN3O4 — CID 56666595

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

N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56666595) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• PubChem CID: 56666595
• Molecular Formula: C26H24FN3O4
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.18
• IUPAC Name: N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• SMILES: COc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)cc2)cc1
• InChI: InChI=1S/C26H24FN3O4/c1-32-19-10-4-15(5-11-19)25-21-12-16-13-22(33-2)23(34-3)14-20(16)24(21)29-30(25)26(31)28-18-8-6-17(27)7-9-18/h4-11,13-14,21,25H,12H2,1-3H3,(H,28,31)
• InChIKey: VEIOCHSTWRFZKS-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 72.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56666595) is N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

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

The canonical SMILES for N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)cc2)cc1.

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

The InChIKey is VEIOCHSTWRFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-19-10-4-15(5-11-19)25-21-12-16-13-22(33-2)23(34-3)14-20(16)24(21)29-30(25)26(31)28-18-8-6-17(27)7-9-18/h4-11,13-14,21,25H,12H2,1-3H3,(H,28,31).

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

N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).