N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide

C15H16F3N3O3S — CID 24952671

IUPACN-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-6-7-24-9-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3
InChIKeyGRSPHLXEMGSNKA-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.01
Rot. Bonds4

About N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide

N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide (PubChem CID 24952671) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
PubChem CID24952671
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-6-7-24-9-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3
InChIKeyGRSPHLXEMGSNKA-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

1-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]ethanone
CID 59351123
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]propane-2-sulfonamide
CID 24826368
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
CID 24826369
2-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 24953725
[2-fluoro-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 24953376
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
CID 91137888
2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine
CID 91623973
[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanol
CID 24825810
1-[[3-fluoro-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]pyrrolidin-2-one
CID 24953017
2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615685
(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methanone
CID 24952670
N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 25014498

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide (CID 24952671) is N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is GRSPHLXEMGSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-6-7-24-9-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3.
What are the key properties of N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 24952671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).