3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

C16H32N4O2S — CID 42283812

IUPAC3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C16H32N4O2S/c1-8-19(9-2)11-10-17-23(21,22)14-12-20(13(3)4)18-15(14)16(5,6)7/h12-13,17H,8-11H2,1-7H3
InChIKeyPBYBKTHVNMVYOT-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.38
Rot. Bonds8

About 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283812) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283812
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC Name3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C16H32N4O2S/c1-8-19(9-2)11-10-17-23(21,22)14-12-20(13(3)4)18-15(14)16(5,6)7/h12-13,17H,8-11H2,1-7H3
InChIKeyPBYBKTHVNMVYOT-UHFFFAOYSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283810
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
3-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283804
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283933
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 42283812) is 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is PBYBKTHVNMVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-8-19(9-2)11-10-17-23(21,22)14-12-20(13(3)4)18-15(14)16(5,6)7/h12-13,17H,8-11H2,1-7H3.
What are the key properties of 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).