5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide

C10H16N4O3S — CID 137499578

IUPAC5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1nc(S(N)(=O)=O)cc1C(=O)N1CCC1
InChIInChI=1S/C10H16N4O3S/c1-7(2)14-8(10(15)13-4-3-5-13)6-9(12-14)18(11,16)17/h6-7H,3-5H2,1-2H3,(H2,11,16,17)
InChIKeyLTQMLPZQQAVHAS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.04
Rot. Bonds3

About 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide

5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 137499578) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide
PubChem CID137499578
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1nc(S(N)(=O)=O)cc1C(=O)N1CCC1
InChIInChI=1S/C10H16N4O3S/c1-7(2)14-8(10(15)13-4-3-5-13)6-9(12-14)18(11,16)17/h6-7H,3-5H2,1-2H3,(H2,11,16,17)
InChIKeyLTQMLPZQQAVHAS-UHFFFAOYSA-N
XLogP-0.04
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide (CID 137499578) is 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide is CC(C)n1nc(S(N)(=O)=O)cc1C(=O)N1CCC1.
What is the InChIKey of 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is LTQMLPZQQAVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-7(2)14-8(10(15)13-4-3-5-13)6-9(12-14)18(11,16)17/h6-7H,3-5H2,1-2H3,(H2,11,16,17).
What are the key properties of 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide?
5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 137499578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).