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

C14H20N4O2S — CID 125439730

IUPAC2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1cccnc1
InChIInChI=1S/C14H20N4O2S/c1-4-13(12-7-6-8-15-10-12)17-21(19,20)14-9-11(3)16-18(14)5-2/h6-10,13,17H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyLGBNSMBMGYHBCV-CYBMUJFWSA-N
MW308.41 g/mol
LogP2.04
Rot. Bonds6

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

2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide (PubChem CID 125439730) 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-3-ylpropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide
PubChem CID125439730
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1cccnc1
InChIInChI=1S/C14H20N4O2S/c1-4-13(12-7-6-8-15-10-12)17-21(19,20)14-9-11(3)16-18(14)5-2/h6-10,13,17H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyLGBNSMBMGYHBCV-CYBMUJFWSA-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

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Related Compounds

2-ethyl-5-methyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-3-sulfonamide
CID 125439319
2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide
CID 125446326
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
2-[[(1S)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95209933
2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95209934
2-ethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazole-3-sulfonamide
CID 122556150
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
CID 102692460
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide
CID 96563370
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide (CID 125439730) is 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide is CC[C@@H](NS(=O)(=O)c1cc(C)nn1CC)c1cccnc1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide?
The InChIKey is LGBNSMBMGYHBCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-13(12-7-6-8-15-10-12)17-21(19,20)14-9-11(3)16-18(14)5-2/h6-10,13,17H,4-5H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide?
2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-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-3-ylpropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 125439730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).