N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

C24H27F6N5O2 — CID 138716570

IUPACN-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C(F)(F)F)ccc4C(F)(F)F)C[C@H]3C2)c1
InChIInChI=1S/C24H27F6N5O2/c1-14(36)33(3)20-9-31-35(13-20)22(37)34-11-15-7-19(8-16(15)12-34)32(2)10-17-6-18(23(25,26)27)4-5-21(17)24(28,29)30/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3/t15-,16+,19?
InChIKeyKKRHIFWLEGBWKH-MCPYQZEQSA-N
MW531.50 g/mol
LogP4.71
Rot. Bonds4

About N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 138716570) has the molecular formula C24H27F6N5O2 and a molecular weight of 531.50 g/mol. Its IUPAC name is N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID138716570
Molecular FormulaC24H27F6N5O2
Molecular Weight531.50 g/mol
Exact Mass531.21
IUPAC NameN-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C(F)(F)F)ccc4C(F)(F)F)C[C@H]3C2)c1
InChIInChI=1S/C24H27F6N5O2/c1-14(36)33(3)20-9-31-35(13-20)22(37)34-11-15-7-19(8-16(15)12-34)32(2)10-17-6-18(23(25,26)27)4-5-21(17)24(28,29)30/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3/t15-,16+,19?
InChIKeyKKRHIFWLEGBWKH-MCPYQZEQSA-N
XLogP4.71
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrazol-4-yl]-N-methylacetamide;1-[2,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145315975
N-[1-[(3aS,6aR)-5-[methyl-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 138716597
(4-aminopyrazol-1-yl)-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 145315953
N-[1-[2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 145315961
1-[(3aR,6aS)-5-[[3-(dimethylamino)-5-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazole-4-carboxamide
CID 145315862
1-[1-[(3aR,6aS)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone
CID 158998412
[(3aR,6aS)-2-[4-[acetyl(methyl)amino]pyrazole-1-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-[(2,5-dichlorophenyl)methyl]-methylazanium
CID 145315970
N-methyl-N-[1-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375972
N-[1-[(3aR,6aS)-5-[(3-chlorophenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 138716611
N-[1-[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375830
1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-3-carboxamide
CID 138563114
N-[1-[2-[(2,3-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375660

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 138716570) is N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C(F)(F)F)ccc4C(F)(F)F)C[C@H]3C2)c1.
What is the InChIKey of N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is KKRHIFWLEGBWKH-MCPYQZEQSA-N. The full InChI is InChI=1S/C24H27F6N5O2/c1-14(36)33(3)20-9-31-35(13-20)22(37)34-11-15-7-19(8-16(15)12-34)32(2)10-17-6-18(23(25,26)27)4-5-21(17)24(28,29)30/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3/t15-,16+,19?.
What are the key properties of N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 531.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6aR)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 138716570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).