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

C8H12N6O3S — CID 106413682

IUPAC5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cn[nH]c2N)n1
InChIInChI=1S/C8H12N6O3S/c1-5-12-7(17-14-5)2-3-11-18(15,16)6-4-10-13-8(6)9/h4,11H,2-3H2,1H3,(H3,9,10,13)
InChIKeyRURQNYWOKKRDED-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.80
Rot. Bonds5

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

5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106413682) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID106413682
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cn[nH]c2N)n1
InChIInChI=1S/C8H12N6O3S/c1-5-12-7(17-14-5)2-3-11-18(15,16)6-4-10-13-8(6)9/h4,11H,2-3H2,1H3,(H3,9,10,13)
InChIKeyRURQNYWOKKRDED-UHFFFAOYSA-N
XLogP-0.80
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 131929095
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935162
N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 131950707
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61014746
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61125433
3-amino-1-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 61125434
3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 61125435
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 103744457
5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106391913
3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106391983
3-amino-1-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106391997

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 106413682) is 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1noc(CCNS(=O)(=O)c2cn[nH]c2N)n1.
What is the InChIKey of 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is RURQNYWOKKRDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-5-12-7(17-14-5)2-3-11-18(15,16)6-4-10-13-8(6)9/h4,11H,2-3H2,1H3,(H3,9,10,13).
What are the key properties of 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106413682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).