5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide

C10H17N5O3S — CID 61111178

IUPAC5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(CN1CCCC1=O)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-7(6-15-4-2-3-9(15)16)14-19(17,18)8-5-12-13-10(8)11/h5,7,14H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyZSMJGHTYIVFRKX-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.72
Rot. Bonds5

About 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide

5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 61111178) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide
PubChem CID61111178
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(CN1CCCC1=O)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-7(6-15-4-2-3-9(15)16)14-19(17,18)8-5-12-13-10(8)11/h5,7,14H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyZSMJGHTYIVFRKX-UHFFFAOYSA-N
XLogP-0.72
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide (CID 61111178) is 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide is CC(CN1CCCC1=O)NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ZSMJGHTYIVFRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-7(6-15-4-2-3-9(15)16)14-19(17,18)8-5-12-13-10(8)11/h5,7,14H,2-4,6H2,1H3,(H3,11,12,13).
What are the key properties of 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61111178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).