2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide

C12H21N3O3S — CID 91769203

IUPAC2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnn1CC)C1CC(O)C1
InChIInChI=1S/C12H21N3O3S/c1-3-11(9-7-10(16)8-9)14-19(17,18)12-5-6-13-15(12)4-2/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3
InChIKeyXOHKDZWRBHAOAA-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.73
Rot. Bonds6

About 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide

2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide (PubChem CID 91769203) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide
PubChem CID91769203
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnn1CC)C1CC(O)C1
InChIInChI=1S/C12H21N3O3S/c1-3-11(9-7-10(16)8-9)14-19(17,18)12-5-6-13-15(12)4-2/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3
InChIKeyXOHKDZWRBHAOAA-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide (CID 91769203) is 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide is CCC(NS(=O)(=O)c1ccnn1CC)C1CC(O)C1.
What is the InChIKey of 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide?
The InChIKey is XOHKDZWRBHAOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-11(9-7-10(16)8-9)14-19(17,18)12-5-6-13-15(12)4-2/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide?
2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 91769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).