N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

C18H22N4O3S — CID 47066539

IUPACN-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H22N4O3S/c1-5-21(4)26(23,24)18-13(2)19-22(14(18)3)12-16-11-17(20-25-16)15-9-7-6-8-10-15/h6-11H,5,12H2,1-4H3
InChIKeyVDDIOVDJYFEVSF-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 47066539) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID47066539
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H22N4O3S/c1-5-21(4)26(23,24)18-13(2)19-22(14(18)3)12-16-11-17(20-25-16)15-9-7-6-8-10-15/h6-11H,5,12H2,1-4H3
InChIKeyVDDIOVDJYFEVSF-UHFFFAOYSA-N
XLogP2.84
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-N-[[4-(3,5-Dimethylisoxazol-4-Yl)phenyl]methyl]-1,4-Dimethyl-1h-Pyrazole-4-Sulfonamide
CID 53313347
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 46955584
3,5-Dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]-1,2-oxazole
CID 53186373
3,5-Dimethyl-4-{[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-A][1,4]diazepin-5(6H)-YL]sulfonyl}isoxazole
CID 53186376
5-[(3,5-Dimethylpyrazol-1-yl)methyl]-3-phenyl-1,2-oxazole
CID 72003380
4-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 126780317
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
CID 118024779
1-[[3-(4-Tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide
CID 141367777
3-(Difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
CID 141367780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 47066539) is N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(-c3ccccc3)no2)c1C.
What is the InChIKey of N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is VDDIOVDJYFEVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-5-21(4)26(23,24)18-13(2)19-22(14(18)3)12-16-11-17(20-25-16)15-9-7-6-8-10-15/h6-11H,5,12H2,1-4H3.
What are the key properties of N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 47066539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).