N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide

C8H10N4O3S — CID 65480577

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cn[nH]c2)c1C
InChIInChI=1S/C8H10N4O3S/c1-5-6(2)11-15-8(5)12-16(13,14)7-3-9-10-4-7/h3-4,12H,1-2H3,(H,9,10)
InChIKeyNPHFGVWQAXHUPB-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.82
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 65480577) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
PubChem CID65480577
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cn[nH]c2)c1C
InChIInChI=1S/C8H10N4O3S/c1-5-6(2)11-15-8(5)12-16(13,14)7-3-9-10-4-7/h3-4,12H,1-2H3,(H,9,10)
InChIKeyNPHFGVWQAXHUPB-UHFFFAOYSA-N
XLogP0.82
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide
CID 131961116
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268140
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47959042
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 53547590
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 54896626
1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 54896768
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933926
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 60808429
5-methyl-N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 60911341
N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 60917423
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60958534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide (CID 65480577) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide is Cc1noc(NS(=O)(=O)c2cn[nH]c2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NPHFGVWQAXHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-5-6(2)11-15-8(5)12-16(13,14)7-3-9-10-4-7/h3-4,12H,1-2H3,(H,9,10).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65480577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).