N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H18N4O3S — CID 17490159

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H18N4O3S/c1-10-15(12(3)20(17-10)14-8-6-5-7-9-14)19-24(21,22)16-11(2)18-23-13(16)4/h5-9,19H,1-4H3
InChIKeyZNOUKDKTTJABNF-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.89
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 17490159) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID17490159
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H18N4O3S/c1-10-15(12(3)20(17-10)14-8-6-5-7-9-14)19-24(21,22)16-11(2)18-23-13(16)4/h5-9,19H,1-4H3
InChIKeyZNOUKDKTTJABNF-UHFFFAOYSA-N
XLogP2.89
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 17490159) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZNOUKDKTTJABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-15(12(3)20(17-10)14-8-6-5-7-9-14)19-24(21,22)16-11(2)18-23-13(16)4/h5-9,19H,1-4H3.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 17490159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).