N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

C21H24F3N5O2 — CID 135375896

IUPACN-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1
InChIInChI=1S/C21H24F3N5O2/c1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyJXFGDHBNIRSBNY-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.92
Rot. Bonds3

About N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375896) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375896
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC NameN-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1
InChIInChI=1S/C21H24F3N5O2/c1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyJXFGDHBNIRSBNY-UHFFFAOYSA-N
XLogP2.92
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide with MolForge

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Related Compounds

N-[1-(3-methylbutyl)pyrazol-4-yl]-1,3-dihydroisoindole-2-carboxamide
CID 57510168
US10689345, Example 245
CID 122590857
US10323038, Example 116
CID 135375447
US10323038, Example 64
CID 135375499
US10323038, Example 14
CID 135375500
US10323038, Example 70
CID 135375561
US10323038, Example 191
CID 135375584
US10323038, Example 279
CID 135375595
US10323038, Example 198
CID 135375596
US10323038, Example 98
CID 135375605
US10323038, Example 182
CID 135375618
US10323038, Example 275
CID 135375634

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (CID 135375896) is N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.
What is the InChIKey of N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is JXFGDHBNIRSBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 435.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).