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

C7H10N6O3S — CID 106391913

IUPAC5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2N)no1
InChIInChI=1S/C7H10N6O3S/c1-4-11-6(13-16-4)3-10-17(14,15)5-2-9-12-7(5)8/h2,10H,3H2,1H3,(H3,8,9,12)
InChIKeyULKMBPRFNHNTIC-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.84
Rot. Bonds4

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

5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106391913) has the molecular formula C7H10N6O3S and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106391913
Molecular FormulaC7H10N6O3S
Molecular Weight258.26 g/mol
Exact Mass258.05
IUPAC Name5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2N)no1
InChIInChI=1S/C7H10N6O3S/c1-4-11-6(13-16-4)3-10-17(14,15)5-2-9-12-7(5)8/h2,10H,3H2,1H3,(H3,8,9,12)
InChIKeyULKMBPRFNHNTIC-UHFFFAOYSA-N
XLogP-0.84
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 106391913) is 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2cn[nH]c2N)no1.
What is the InChIKey of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ULKMBPRFNHNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O3S/c1-4-11-6(13-16-4)3-10-17(14,15)5-2-9-12-7(5)8/h2,10H,3H2,1H3,(H3,8,9,12).
What are the key properties of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 258.26 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106391913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).