1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide

C17H25N3O2S — CID 42284354

IUPAC1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-5-11-18-23(21,22)15-13-20(19-16(15)17(2,3)4)12-14-9-7-6-8-10-14/h6-10,13,18H,5,11-12H2,1-4H3
InChIKeyPKCFDSUYXSCFNX-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.92
Rot. Bonds6

About 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide

1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide (PubChem CID 42284354) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
PubChem CID42284354
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-5-11-18-23(21,22)15-13-20(19-16(15)17(2,3)4)12-14-9-7-6-8-10-14/h6-10,13,18H,5,11-12H2,1-4H3
InChIKeyPKCFDSUYXSCFNX-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 42284527
1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butylpyrazole-4-sulfonamide
CID 42284500
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
CID 42284277
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
CID 42284512
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
CID 42348254
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-benzyl-4-tert-butyl-3-ethylpyrazole
CID 20664182
1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide (CID 42284354) is 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide is CCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C.
What is the InChIKey of 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is PKCFDSUYXSCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-5-11-18-23(21,22)15-13-20(19-16(15)17(2,3)4)12-14-9-7-6-8-10-14/h6-10,13,18H,5,11-12H2,1-4H3.
What are the key properties of 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide?
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).