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

C19H21ClF3N5O3S — CID 135375634

IUPACN-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4C(F)(F)F)CC3C2)c1
InChIInChI=1S/C19H21ClF3N5O3S/c1-32(30,31)25-16-5-24-28(11-16)18(29)27-9-13-7-26(8-14(13)10-27)6-12-4-15(20)2-3-17(12)19(21,22)23/h2-5,11,13-14,25H,6-10H2,1H3
InChIKeyCVVHBWYAPPPCKB-UHFFFAOYSA-N
MW491.92 g/mol
LogP2.96
Rot. Bonds4

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

N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375634) has the molecular formula C19H21ClF3N5O3S and a molecular weight of 491.92 g/mol. Its IUPAC name is N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375634
Molecular FormulaC19H21ClF3N5O3S
Molecular Weight491.92 g/mol
Exact Mass491.10
IUPAC NameN-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4C(F)(F)F)CC3C2)c1
InChIInChI=1S/C19H21ClF3N5O3S/c1-32(30,31)25-16-5-24-28(11-16)18(29)27-9-13-7-26(8-14(13)10-27)6-12-4-15(20)2-3-17(12)19(21,22)23/h2-5,11,13-14,25H,6-10H2,1H3
InChIKeyCVVHBWYAPPPCKB-UHFFFAOYSA-N
XLogP2.96
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

US10323038, Example 70
CID 135375561
US10323038, Example 279
CID 135375595
US10323038, Example 297
CID 135375601
US10323038, Example 98
CID 135375605
US10323038, Example 122
CID 135375641
US10323038, Example 277
CID 135375750
US10323038, Example 293
CID 135375789
US10323038, Example 96
CID 135375896
US10323038, Example 161
CID 138716621
US11149037, Example 184
CID 146459040
US11149037, Example 51
CID 146518223
US10323038, Example 11
CID 135375563

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375634) is N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4C(F)(F)F)CC3C2)c1.
What is the InChIKey of N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is CVVHBWYAPPPCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O3S/c1-32(30,31)25-16-5-24-28(11-16)18(29)27-9-13-7-26(8-14(13)10-27)6-12-4-15(20)2-3-17(12)19(21,22)23/h2-5,11,13-14,25H,6-10H2,1H3.
What are the key properties of N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 491.92 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).