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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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).