1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol

C11H19N3O3S — CID 79546057

IUPAC1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3S/c1-9(15)6-10-4-3-5-14(10)18(16,17)11-7-12-13(2)8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyCIVISZHVOJQVNH-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.34
Rot. Bonds4

About 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol

1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol (PubChem CID 79546057) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
PubChem CID79546057
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3S/c1-9(15)6-10-4-3-5-14(10)18(16,17)11-7-12-13(2)8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyCIVISZHVOJQVNH-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol (CID 79546057) is 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is CIVISZHVOJQVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9(15)6-10-4-3-5-14(10)18(16,17)11-7-12-13(2)8-11/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol?
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 273.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 79546057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).