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

C7H9N5O3S — CID 61014746

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C7H9N5O3S/c1-5-11-7(15-12-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9)
InChIKeyOJYHYVWOIGDSTD-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.42
Rot. Bonds4

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61014746) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID61014746
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C7H9N5O3S/c1-5-11-7(15-12-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9)
InChIKeyOJYHYVWOIGDSTD-UHFFFAOYSA-N
XLogP-0.42
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 61014746) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1noc(CNS(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is OJYHYVWOIGDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c1-5-11-7(15-12-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 243.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61014746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).