3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole

C16H18N6O3S — CID 91905638

IUPAC3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC(c3noc(-c4cccnc4)n3)C2)cn1
InChIInChI=1S/C16H18N6O3S/c1-2-21-11-14(9-18-21)26(23,24)22-7-5-13(10-22)15-19-16(25-20-15)12-4-3-6-17-8-12/h3-4,6,8-9,11,13H,2,5,7,10H2,1H3
InChIKeyQLVXUUWISRSQBY-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.53
Rot. Bonds5

About 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole

3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 91905638) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID91905638
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC(c3noc(-c4cccnc4)n3)C2)cn1
InChIInChI=1S/C16H18N6O3S/c1-2-21-11-14(9-18-21)26(23,24)22-7-5-13(10-22)15-19-16(25-20-15)12-4-3-6-17-8-12/h3-4,6,8-9,11,13H,2,5,7,10H2,1H3
InChIKeyQLVXUUWISRSQBY-UHFFFAOYSA-N
XLogP1.53
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole (CID 91905638) is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole is CCn1cc(S(=O)(=O)N2CCC(c3noc(-c4cccnc4)n3)C2)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is QLVXUUWISRSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-2-21-11-14(9-18-21)26(23,24)22-7-5-13(10-22)15-19-16(25-20-15)12-4-3-6-17-8-12/h3-4,6,8-9,11,13H,2,5,7,10H2,1H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole?
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 374.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91905638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).