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

C23H23Cl3N4O — CID 11993772

IUPACN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CC2CCCC2C1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23Cl3N4O/c24-17-6-4-14(5-7-17)22-11-20(27-30(22)21-9-8-18(25)10-19(21)26)23(31)28-29-12-15-2-1-3-16(15)13-29/h4-10,15-16,22H,1-3,11-13H2,(H,28,31)
InChIKeyJXTKRIQBAVYEIO-UHFFFAOYSA-N
MW477.82 g/mol
LogP5.72
Rot. Bonds4

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

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 11993772) has the molecular formula C23H23Cl3N4O and a molecular weight of 477.82 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID11993772
Molecular FormulaC23H23Cl3N4O
Molecular Weight477.82 g/mol
Exact Mass476.09
IUPAC NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CC2CCCC2C1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23Cl3N4O/c24-17-6-4-14(5-7-17)22-11-20(27-30(22)21-9-8-18(25)10-19(21)26)23(31)28-29-12-15-2-1-3-16(15)13-29/h4-10,15-16,22H,1-3,11-13H2,(H,28,31)
InChIKeyJXTKRIQBAVYEIO-UHFFFAOYSA-N
XLogP5.72
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.82
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide (CID 11993772) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CC2CCCC2C1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is JXTKRIQBAVYEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N4O/c24-17-6-4-14(5-7-17)22-11-20(27-30(22)21-9-8-18(25)10-19(21)26)23(31)28-29-12-15-2-1-3-16(15)13-29/h4-10,15-16,22H,1-3,11-13H2,(H,28,31).
What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 477.82 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 11993772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).