3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

C17H24N4O3S — CID 128970089

IUPAC3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C17H24N4O3S/c1-4-15-17(16(5-2)20(3)19-15)25(22,23)21-10-8-14(12-21)24-13-7-6-9-18-11-13/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3
InChIKeyGQRUNCNEESAJKE-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.78
Rot. Bonds6

About 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 128970089) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID128970089
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C17H24N4O3S/c1-4-15-17(16(5-2)20(3)19-15)25(22,23)21-10-8-14(12-21)24-13-7-6-9-18-11-13/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3
InChIKeyGQRUNCNEESAJKE-UHFFFAOYSA-N
XLogP1.78
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 75507090
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
CID 129425283
N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
CID 97058706
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 128970089) is 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is GQRUNCNEESAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-15-17(16(5-2)20(3)19-15)25(22,23)21-10-8-14(12-21)24-13-7-6-9-18-11-13/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3.
What are the key properties of 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 364.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 128970089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).