N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide

C12H17N5O3S — CID 125438128

IUPACN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N5O3S/c1-3-17-10(6-7-13-17)21(18,19)16-8(2)12-14-11(15-20-12)9-4-5-9/h6-9,16H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyRGFLQCQLMAFMPK-QMMMGPOBSA-N
MW311.37 g/mol
LogP1.20
Rot. Bonds6

About N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide

N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide (PubChem CID 125438128) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide
PubChem CID125438128
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N5O3S/c1-3-17-10(6-7-13-17)21(18,19)16-8(2)12-14-11(15-20-12)9-4-5-9/h6-9,16H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyRGFLQCQLMAFMPK-QMMMGPOBSA-N
XLogP1.20
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.20
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-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 125445850
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 129609331
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
N-[(1R)-2-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propyl]cyclopropanesulfonamide
CID 132393560
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-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide
CID 166337284
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrazol-1-ylbutan-2-amine
CID 53575951

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide (CID 125438128) is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)N[C@@H](C)c1nc(C2CC2)no1.
What is the InChIKey of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide?
The InChIKey is RGFLQCQLMAFMPK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-3-17-10(6-7-13-17)21(18,19)16-8(2)12-14-11(15-20-12)9-4-5-9/h6-9,16H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide?
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide is sourced from PubChem (CID 125438128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).