N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide

C26H26Cl2N4O2 — CID 24967573

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 24967573) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 24967573
• Molecular Formula: C26H26Cl2N4O2
• Molecular Weight: 497.43 g/mol
• Exact Mass: 496.14
• IUPAC Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: CC1(C)Oc2ccccc2-c2c1c(C(=O)NN1CC3CCCC3C1)nn2-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C26H26Cl2N4O2/c1-26(2)22-23(25(33)30-31-13-15-6-5-7-16(15)14-31)29-32(20-11-10-17(27)12-19(20)28)24(22)18-8-3-4-9-21(18)34-26/h3-4,8-12,15-16H,5-7,13-14H2,1-2H3,(H,30,33)
• InChIKey: MDOCZBGGJQGKIZ-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.43
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide (CID 24967573) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide is CC1(C)Oc2ccccc2-c2c1c(C(=O)NN1CC3CCCC3C1)nn2-c1ccc(Cl)cc1Cl.

What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is MDOCZBGGJQGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c1-26(2)22-23(25(33)30-31-13-15-6-5-7-16(15)14-31)29-32(20-11-10-17(27)12-19(20)28)24(22)18-8-3-4-9-21(18)34-26/h3-4,8-12,15-16H,5-7,13-14H2,1-2H3,(H,30,33).

What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide?

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 497.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 24967573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).