N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide

C24H26F3N3O3S — CID 71274705

IUPACN-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C3(NS(=O)(=O)CC)COC3)c2)cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O3S/c1-3-30-21(12-17-8-10-19(11-9-17)24(25,26)27)14-22(28-30)18-6-5-7-20(13-18)23(15-33-16-23)29-34(31,32)4-2/h5-11,13-14,29H,3-4,12,15-16H2,1-2H3
InChIKeySCSWDEXLCRBXHZ-UHFFFAOYSA-N
MW493.55 g/mol
LogP4.34
Rot. Bonds8

About N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide

N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide (PubChem CID 71274705) has the molecular formula C24H26F3N3O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide
PubChem CID71274705
Molecular FormulaC24H26F3N3O3S
Molecular Weight493.55 g/mol
Exact Mass493.16
IUPAC NameN-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C3(NS(=O)(=O)CC)COC3)c2)cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O3S/c1-3-30-21(12-17-8-10-19(11-9-17)24(25,26)27)14-22(28-30)18-6-5-7-20(13-18)23(15-33-16-23)29-34(31,32)4-2/h5-11,13-14,29H,3-4,12,15-16H2,1-2H3
InChIKeySCSWDEXLCRBXHZ-UHFFFAOYSA-N
XLogP4.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide with MolForge

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Related Compounds

N-{1-[3-(1-Ethyl-3-{[4-(trifluoromethyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-1H-pyrazol-5-yl)phenyl]-1-methylethyl}-2,2,2-trifluoroethanesulfonamide
CID 11191918
2,2,2-Trifluoro-N-[1-(3-{3-[(ethyl{4-fluorophenyl}amino)methyl]-1-methyl-1H-pyrazol-5-yl}phenyl)-1-methylethyl]ethanesulfonamide
CID 11295224
N-[2-[3-[2-ethyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]phenyl]propan-2-yl]-2,2,2-trifluoroethanesulfonamide
CID 11454314
2,2,2-Trifluoroethanesulfonic acid {1-[3-(3-hydroxymethyl-1-methyl-1h-pyrazol-5-yl)-phenyl]-1-methylethyl}-amide
CID 58757355
2,2,2-Trifluoroethanesulfonic acid {1-[3-(3-dimethoxymethyl-1-methyl-1h-pyrazol-5-yl)-phenyl]-1-methylethyl}-amide
CID 58757362
2,2,2-Trifluoroethanesulfonic acid (1-{3-[1-ethyl-3-(1-hydroxyethyl)-1H-pyrazol-5-yl]-phenyl}-1-methylethyl)-amide
CID 58757367
N-[2-[3-(1,3-diethylpyrazol-5-yl)phenyl]propan-2-yl]-2,2,2-trifluoroethanesulfonamide
CID 58757370
N-[1-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide
CID 71274734
N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 89418683
N-[1-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]cyclobutyl]-2,2,2-trifluoroethanesulfonamide
CID 89418687
3-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]oxetan-3-amine
CID 124188700
3-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]oxetan-3-amine
CID 124188705

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide?
The IUPAC name of N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide (CID 71274705) is N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide is CCn1nc(-c2cccc(C3(NS(=O)(=O)CC)COC3)c2)cc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide?
The InChIKey is SCSWDEXLCRBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3S/c1-3-30-21(12-17-8-10-19(11-9-17)24(25,26)27)14-22(28-30)18-6-5-7-20(13-18)23(15-33-16-23)29-34(31,32)4-2/h5-11,13-14,29H,3-4,12,15-16H2,1-2H3.
What are the key properties of N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide?
N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide has a molecular weight of 493.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[1-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]phenyl]oxetan-3-yl]ethanesulfonamide is sourced from PubChem (CID 71274705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).