N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

C26H26BrCl3N4O2 — CID 24964364

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24964364) has the molecular formula C26H26BrCl3N4O2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
• PubChem CID: 24964364
• Molecular Formula: C26H26BrCl3N4O2
• Molecular Weight: 612.78 g/mol
• Exact Mass: 610.03
• IUPAC Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
• SMILES: CC1(C)Oc2cc(Br)ccc2-c2c1c(C(=O)NN1CC3CCCC3C1)nn2-c1ccc(Cl)cc1Cl.Cl
• InChI: InChI=1S/C26H25BrCl2N4O2.ClH/c1-26(2)22-23(25(34)31-32-12-14-4-3-5-15(14)13-32)30-33(20-9-7-17(28)11-19(20)29)24(22)18-8-6-16(27)10-21(18)35-26;/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,34);1H
• InChIKey: NTZUAXSJVXUFPN-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.78
LogP ≤ 5	7.03
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)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?

The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24964364) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?

The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is CC1(C)Oc2cc(Br)ccc2-c2c1c(C(=O)NN1CC3CCCC3C1)nn2-c1ccc(Cl)cc1Cl.Cl.

What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?

The InChIKey is NTZUAXSJVXUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrCl2N4O2.ClH/c1-26(2)22-23(25(34)31-32-12-14-4-3-5-15(14)13-32)30-33(20-9-7-17(28)11-19(20)29)24(22)18-8-6-16(27)10-21(18)35-26;/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,34);1H.

What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 612.78 g/mol, XLogP of 7.03, 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)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24964364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).