N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H20N4O2S — CID 54974035

IUPACN-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H20N4O2S/c1-9(2)15-11(5-7-13-15)14-18(16,17)8-10-4-3-6-12-10/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyRNTRBRURUAACDM-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.96
Rot. Bonds5

About N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54974035) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54974035
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H20N4O2S/c1-9(2)15-11(5-7-13-15)14-18(16,17)8-10-4-3-6-12-10/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyRNTRBRURUAACDM-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54974035) is N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide is CC(C)n1nccc1NS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is RNTRBRURUAACDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)15-11(5-7-13-15)14-18(16,17)8-10-4-3-6-12-10/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3.
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54974035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).