N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

C23H26ClN5O — CID 70829641

IUPACN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCN1C[C@@H]2CCN(c3ccc(NC(=O)C4CC(c5ccc(Cl)cc5)=NN4)cc3)[C@@H]2C1
InChIInChI=1S/C23H26ClN5O/c1-28-13-16-10-11-29(22(16)14-28)19-8-6-18(7-9-19)25-23(30)21-12-20(26-27-21)15-2-4-17(24)5-3-15/h2-9,16,21-22,27H,10-14H2,1H3,(H,25,30)/t16-,21?,22+/m0/s1
InChIKeyALYNTKGOHJCCJW-GWGYHSHPSA-N
MW423.95 g/mol
LogP3.18
Rot. Bonds4

About N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (PubChem CID 70829641) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
PubChem CID70829641
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCN1C[C@@H]2CCN(c3ccc(NC(=O)C4CC(c5ccc(Cl)cc5)=NN4)cc3)[C@@H]2C1
InChIInChI=1S/C23H26ClN5O/c1-28-13-16-10-11-29(22(16)14-28)19-8-6-18(7-9-19)25-23(30)21-12-20(26-27-21)15-2-4-17(24)5-3-15/h2-9,16,21-22,27H,10-14H2,1H3,(H,25,30)/t16-,21?,22+/m0/s1
InChIKeyALYNTKGOHJCCJW-GWGYHSHPSA-N
XLogP3.18
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-5-[4-chloro-2-(dihydroxyamino)phenyl]furan-2-carboxamide
CID 91452367
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 59558062
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-2-methylphenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
CID 59558081
N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
CID 59558048
1-[4-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 87723709
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-5-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743743
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(oxan-2-ylmethoxy)benzamide
CID 59558029
(4aS,7aS)-6-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
CID 167843153
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743784
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
(3R)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 30331284

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (CID 70829641) is N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is CN1C[C@@H]2CCN(c3ccc(NC(=O)C4CC(c5ccc(Cl)cc5)=NN4)cc3)[C@@H]2C1.
What is the InChIKey of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The InChIKey is ALYNTKGOHJCCJW-GWGYHSHPSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-28-13-16-10-11-29(22(16)14-28)19-8-6-18(7-9-19)25-23(30)21-12-20(26-27-21)15-2-4-17(24)5-3-15/h2-9,16,21-22,27H,10-14H2,1H3,(H,25,30)/t16-,21?,22+/m0/s1.
What are the key properties of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70829641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).