3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide

C16H19N5O3S — CID 110323711

IUPAC3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1-c1noc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C16H19N5O3S/c1-10-6-4-5-7-13(10)16-18-14(24-21-16)8-9-17-25(22,23)15-11(2)19-20-12(15)3/h4-7,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyDHJBTBLGPALRHA-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.91
Rot. Bonds6

About 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110323711) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110323711
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1-c1noc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C16H19N5O3S/c1-10-6-4-5-7-13(10)16-18-14(24-21-16)8-9-17-25(22,23)15-11(2)19-20-12(15)3/h4-7,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyDHJBTBLGPALRHA-UHFFFAOYSA-N
XLogP1.91
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110323688
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110660694
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110324097
4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323465
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide (CID 110323711) is 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide is Cc1ccccc1-c1noc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DHJBTBLGPALRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10-6-4-5-7-13(10)16-18-14(24-21-16)8-9-17-25(22,23)15-11(2)19-20-12(15)3/h4-7,17H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110323711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).