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

C8H12N6O3S — CID 61125434

IUPAC3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cn(C)nc2N)n1
InChIInChI=1S/C8H12N6O3S/c1-5-11-7(17-13-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12)
InChIKeyADVHFKYPNYOXDD-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.83
Rot. Bonds4

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

3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 61125434) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID61125434
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cn(C)nc2N)n1
InChIInChI=1S/C8H12N6O3S/c1-5-11-7(17-13-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12)
InChIKeyADVHFKYPNYOXDD-UHFFFAOYSA-N
XLogP-0.83
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 61125434) is 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is Cc1noc(CNS(=O)(=O)c2cn(C)nc2N)n1.
What is the InChIKey of 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ADVHFKYPNYOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-5-11-7(17-13-5)3-10-18(15,16)6-4-14(2)12-8(6)9/h4,10H,3H2,1-2H3,(H2,9,12).
What are the key properties of 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 61125434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).