5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide

C9H15N3O3S — CID 60910848

IUPAC5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(6-10-11-7)16(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3,(H,10,11)
InChIKeyTYPOOCQFECAQHQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.18
Rot. Bonds3

About 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60910848) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60910848
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(6-10-11-7)16(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3,(H,10,11)
InChIKeyTYPOOCQFECAQHQ-UHFFFAOYSA-N
XLogP0.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275807
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377
N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
CID 61275918
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide
CID 77002496
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide (CID 60910848) is 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is TYPOOCQFECAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-9(6-10-11-7)16(13,14)12-8-2-4-15-5-3-8/h6,8,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60910848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).