3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide

C24H26Cl3IN4O — CID 173160960

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide
SMILESCN1CC2CCCC2C1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.I
InChIInChI=1S/C24H25Cl3N4O.HI/c1-30-13-15-3-2-4-18(15)23(30)28-24(32)20-12-22(14-5-7-16(25)8-6-14)31(29-20)21-10-9-17(26)11-19(21)27;/h5-11,15,18,22-23H,2-4,12-13H2,1H3,(H,28,32);1H
InChIKeyNBQFONVFPBNOSY-UHFFFAOYSA-N
MW619.76 g/mol
LogP6.38
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide (PubChem CID 173160960) has the molecular formula C24H26Cl3IN4O and a molecular weight of 619.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide
PubChem CID173160960
Molecular FormulaC24H26Cl3IN4O
Molecular Weight619.76 g/mol
Exact Mass618.02
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide
SMILESCN1CC2CCCC2C1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.I
InChIInChI=1S/C24H25Cl3N4O.HI/c1-30-13-15-3-2-4-18(15)23(30)28-24(32)20-12-22(14-5-7-16(25)8-6-14)31(29-20)21-10-9-17(26)11-19(21)27;/h5-11,15,18,22-23H,2-4,12-13H2,1H3,(H,28,32);1H
InChIKeyNBQFONVFPBNOSY-UHFFFAOYSA-N
XLogP6.38
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.76
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide (CID 173160960) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide is CN1CC2CCCC2C1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.I.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide?
The InChIKey is NBQFONVFPBNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N4O.HI/c1-30-13-15-3-2-4-18(15)23(30)28-24(32)20-12-22(14-5-7-16(25)8-6-14)31(29-20)21-10-9-17(26)11-19(21)27;/h5-11,15,18,22-23H,2-4,12-13H2,1H3,(H,28,32);1H.
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide has a molecular weight of 619.76 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)-3,4-dihydropyrazole-5-carboxamide;hydroiodide is sourced from PubChem (CID 173160960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).