(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C13H18F3N5O — CID 136585572

IUPAC(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN1C[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]2C1
InChIInChI=1S/C13H18F3N5O/c1-19-4-9-6-20(7-10(9)5-19)12(22)17-11-2-3-21(18-11)8-13(14,15)16/h2-3,9-10H,4-8H2,1H3,(H,17,18,22)/t9-,10+
InChIKeyCGWLCTUHWXWHGZ-AOOOYVTPSA-N
MW317.32 g/mol
LogP1.47
Rot. Bonds2

About (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 136585572) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID136585572
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN1C[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]2C1
InChIInChI=1S/C13H18F3N5O/c1-19-4-9-6-20(7-10(9)5-19)12(22)17-11-2-3-21(18-11)8-13(14,15)16/h2-3,9-10H,4-8H2,1H3,(H,17,18,22)/t9-,10+
InChIKeyCGWLCTUHWXWHGZ-AOOOYVTPSA-N
XLogP1.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 136516743
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918
3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 139013293
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 120873325
2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044985
1-(5-methyl-2-pyridinyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99835817
N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451889
1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
CID 136562643
(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 99819260
(3aR,6aS)-N-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 154848780

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 136585572) is (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CN1C[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is CGWLCTUHWXWHGZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18F3N5O/c1-19-4-9-6-20(7-10(9)5-19)12(22)17-11-2-3-21(18-11)8-13(14,15)16/h2-3,9-10H,4-8H2,1H3,(H,17,18,22)/t9-,10+.
What are the key properties of (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 136585572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).