N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide

C10H15N5O3S — CID 131935162

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)Cc1nc(CNS(=O)(=O)c2cn[nH]c2)no1
InChIInChI=1S/C10H15N5O3S/c1-7(2)3-10-14-9(15-18-10)6-13-19(16,17)8-4-11-12-5-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,12)
InChIKeyHBEFIVMGDUIYIO-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.47
Rot. Bonds6

About N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131935162) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131935162
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)Cc1nc(CNS(=O)(=O)c2cn[nH]c2)no1
InChIInChI=1S/C10H15N5O3S/c1-7(2)3-10-14-9(15-18-10)6-13-19(16,17)8-4-11-12-5-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,12)
InChIKeyHBEFIVMGDUIYIO-UHFFFAOYSA-N
XLogP0.47
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 131935162) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide is CC(C)Cc1nc(CNS(=O)(=O)c2cn[nH]c2)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HBEFIVMGDUIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-7(2)3-10-14-9(15-18-10)6-13-19(16,17)8-4-11-12-5-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,12).
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131935162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).