2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide

C14H20N4O2S — CID 125439319

IUPAC2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1ccccn1
InChIInChI=1S/C14H20N4O2S/c1-4-12(13-8-6-7-9-15-13)17-21(19,20)14-10-11(3)16-18(14)5-2/h6-10,12,17H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyHJGNTRVFDNIRJY-GFCCVEGCSA-N
MW308.41 g/mol
LogP2.04
Rot. Bonds6

About 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide

2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide (PubChem CID 125439319) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide
PubChem CID125439319
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1ccccn1
InChIInChI=1S/C14H20N4O2S/c1-4-12(13-8-6-7-9-15-13)17-21(19,20)14-10-11(3)16-18(14)5-2/h6-10,12,17H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyHJGNTRVFDNIRJY-GFCCVEGCSA-N
XLogP2.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide (CID 125439319) is 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide is CC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1ccccn1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide?
The InChIKey is HJGNTRVFDNIRJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-12(13-8-6-7-9-15-13)17-21(19,20)14-10-11(3)16-18(14)5-2/h6-10,12,17H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide?
2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 125439319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).