5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide

C8H15N3O3S — CID 142587902

IUPAC5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CC(C)(C)O
InChIInChI=1S/C8H15N3O3S/c1-8(2,12)5-6-4-7(10-11(6)3)15(9,13)14/h4,12H,5H2,1-3H3,(H2,9,13,14)
InChIKeyQFWWBZMRYFTFJM-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.62
Rot. Bonds3

About 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide

5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide (PubChem CID 142587902) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide
PubChem CID142587902
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CC(C)(C)O
InChIInChI=1S/C8H15N3O3S/c1-8(2,12)5-6-4-7(10-11(6)3)15(9,13)14/h4,12H,5H2,1-3H3,(H2,9,13,14)
InChIKeyQFWWBZMRYFTFJM-UHFFFAOYSA-N
XLogP-0.62
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide?
The IUPAC name of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide (CID 142587902) is 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)cc1CC(C)(C)O.
What is the InChIKey of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide?
The InChIKey is QFWWBZMRYFTFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-8(2,12)5-6-4-7(10-11(6)3)15(9,13)14/h4,12H,5H2,1-3H3,(H2,9,13,14).
What are the key properties of 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide?
5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 142587902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).