1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol

C8H13N3O3S — CID 62916778

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H13N3O3S/c1-6-8(4-9-10-6)15(13,14)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3,(H,9,10)
InChIKeyLOFFOHZVWYEFBJ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.53
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol (PubChem CID 62916778) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
PubChem CID62916778
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H13N3O3S/c1-6-8(4-9-10-6)15(13,14)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3,(H,9,10)
InChIKeyLOFFOHZVWYEFBJ-UHFFFAOYSA-N
XLogP-0.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol (CID 62916778) is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol is Cc1[nH]ncc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is LOFFOHZVWYEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6-8(4-9-10-6)15(13,14)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol?
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 231.28 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 62916778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).