1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole

C11H19N3O2S — CID 170387476

IUPAC1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole
SMILESCC(C)[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O2S/c1-9(2)10-4-5-14(7-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3/t10-/m1/s1
InChIKeyPBTUUMDISODWPJ-SNVBAGLBSA-N
MW257.36 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole

1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 170387476) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole
PubChem CID170387476
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole
SMILESCC(C)[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O2S/c1-9(2)10-4-5-14(7-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3/t10-/m1/s1
InChIKeyPBTUUMDISODWPJ-SNVBAGLBSA-N
XLogP1.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole (CID 170387476) is 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole is CC(C)[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is PBTUUMDISODWPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)10-4-5-14(7-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole?
1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 257.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 170387476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).