N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide

C11H17N5O3S — CID 125445850

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1noc([C@H](C)NS(=O)(=O)c2ccnn2C(C)C)n1
InChIInChI=1S/C11H17N5O3S/c1-7(2)16-10(5-6-12-16)20(17,18)15-8(3)11-13-9(4)14-19-11/h5-8,15H,1-4H3/t8-/m0/s1
InChIKeyRFARZVCJTLKQLS-QMMMGPOBSA-N
MW299.36 g/mol
LogP1.19
Rot. Bonds5

About N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 125445850) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide
PubChem CID125445850
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1noc([C@H](C)NS(=O)(=O)c2ccnn2C(C)C)n1
InChIInChI=1S/C11H17N5O3S/c1-7(2)16-10(5-6-12-16)20(17,18)15-8(3)11-13-9(4)14-19-11/h5-8,15H,1-4H3/t8-/m0/s1
InChIKeyRFARZVCJTLKQLS-QMMMGPOBSA-N
XLogP1.19
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 122568640
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide
CID 125438128
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 131939586
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-methylpyrazole-3-sulfonamide
CID 132306022
1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 164639557
3-Cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole
CID 128971160
5-[(2R)-4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485407
1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide
CID 126823254
1-ethyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
CID 126829859
1-ethyl-N-[(1S)-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
CID 129538963
1-ethyl-N-[(1R)-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
CID 129538964
1,4-dimethyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-5-sulfonamide
CID 132305676

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide (CID 125445850) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide is Cc1noc([C@H](C)NS(=O)(=O)c2ccnn2C(C)C)n1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is RFARZVCJTLKQLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-7(2)16-10(5-6-12-16)20(17,18)15-8(3)11-13-9(4)14-19-11/h5-8,15H,1-4H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 125445850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).