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

C21H24F3N5O2 — CID 135375500

IUPACN-methyl-N-[1-[2-[[4-(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(Cc4ccc(C(F)(F)F)cc4)CC3C2)c1
InChIInChI=1S/C21H24F3N5O2/c1-14(30)26(2)19-7-25-29(13-19)20(31)28-11-16-9-27(10-17(16)12-28)8-15-3-5-18(6-4-15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyKOIYNXCNSDYMEP-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.92
Rot. Bonds3

About N-methyl-N-[1-[2-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375500) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-methyl-N-[1-[2-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375500
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC NameN-methyl-N-[1-[2-[[4-(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(Cc4ccc(C(F)(F)F)cc4)CC3C2)c1
InChIInChI=1S/C21H24F3N5O2/c1-14(30)26(2)19-7-25-29(13-19)20(31)28-11-16-9-27(10-17(16)12-28)8-15-3-5-18(6-4-15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyKOIYNXCNSDYMEP-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-[[4-(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

US10323038, Example 116
CID 135375447
US10323038, Example 64
CID 135375499
US10323038, Example 70
CID 135375561
US10323038, Example 191
CID 135375584
US10323038, Example 198
CID 135375596
US10323038, Example 98
CID 135375605
US10323038, Example 182
CID 135375618
US10323038, Example 122
CID 135375641
US10323038, Example 26
CID 135375656
US10323038, Example 58
CID 135375662
US10323038, Example 214
CID 135375664
US10323038, Example 178
CID 135375665

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (CID 135375500) is N-methyl-N-[1-[2-[[4-(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-[[4-(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-[[4-(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(Cc4ccc(C(F)(F)F)cc4)CC3C2)c1.
What is the InChIKey of N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is KOIYNXCNSDYMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-14(30)26(2)19-7-25-29(13-19)20(31)28-11-16-9-27(10-17(16)12-28)8-15-3-5-18(6-4-15)21(22,23)24/h3-7,13,16-17H,8-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-[2-[[4-(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-[[4-(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-[[4-(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 135375500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).