3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide

C14H21N3O3S2 — CID 75477661

IUPAC3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H21N3O3S2/c1-4-11-14(12(5-2)17(3)16-11)22(19,20)15-8-13(18)10-6-7-21-9-10/h6-7,9,13,15,18H,4-5,8H2,1-3H3
InChIKeyYAGHFHLVFDJZTI-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.62
Rot. Bonds7

About 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide

3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 75477661) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID75477661
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H21N3O3S2/c1-4-11-14(12(5-2)17(3)16-11)22(19,20)15-8-13(18)10-6-7-21-9-10/h6-7,9,13,15,18H,4-5,8H2,1-3H3
InChIKeyYAGHFHLVFDJZTI-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806218
(R)-1-(1-benzothiophen-3-yl)-2-(1-isopropyl-3,5-dimethyl-4-pyrazolylsulfonylamino)-1-ethanol
CID 100726359
1,3,5-trimethyl-N-(2-(thiophen-3-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71806158
[3,5-Dimethyl-1-(2-thiophen-3-ylethyl)pyrazol-4-yl]methanol
CID 64057788
1-(2-hydroxyethyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 65738033
1-(3-hydroxypropyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 65740354
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71803876
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806222
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806391
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810413
2-[(3,5-Diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
CID 75433069
1-Thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 75436145

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide (CID 75477661) is 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)NCC(O)c1ccsc1.
What is the InChIKey of 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is YAGHFHLVFDJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-4-11-14(12(5-2)17(3)16-11)22(19,20)15-8-13(18)10-6-7-21-9-10/h6-7,9,13,15,18H,4-5,8H2,1-3H3.
What are the key properties of 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75477661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).