4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole

C13H23N3O3S — CID 131934907

IUPAC4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1
InChIInChI=1S/C13H23N3O3S/c1-9(2)16-11(4)13(10(3)14-16)20(17,18)15-7-6-12(8-15)19-5/h9,12H,6-8H2,1-5H3
InChIKeyFBGJGFJZLSAYBL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.49
Rot. Bonds4

About 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole

4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole (PubChem CID 131934907) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
PubChem CID131934907
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1
InChIInChI=1S/C13H23N3O3S/c1-9(2)16-11(4)13(10(3)14-16)20(17,18)15-7-6-12(8-15)19-5/h9,12H,6-8H2,1-5H3
InChIKeyFBGJGFJZLSAYBL-UHFFFAOYSA-N
XLogP1.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
CID 131703748
5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 154738268
4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole
CID 121190386
4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 91918299
3-cyclopentyl-1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 53078959
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
3-(chloromethyl)-4-(3-methoxypyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazole
CID 103541223
4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191755
8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186812
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine
CID 103541275
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53078979
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole (CID 131934907) is 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole is COC1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole?
The InChIKey is FBGJGFJZLSAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-9(2)16-11(4)13(10(3)14-16)20(17,18)15-7-6-12(8-15)19-5/h9,12H,6-8H2,1-5H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole?
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole has a molecular weight of 301.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 131934907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).