3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

C17H25N3O3S — CID 19684333

IUPAC3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C17H25N3O3S/c1-13(2)23-12-8-11-18-24(21,22)17-14(3)19-20(15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,18H,8,11-12H2,1-4H3
InChIKeyTZZAOXLNFGXFBW-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.58
Rot. Bonds8

About 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 19684333) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID19684333
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C17H25N3O3S/c1-13(2)23-12-8-11-18-24(21,22)17-14(3)19-20(15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,18H,8,11-12H2,1-4H3
InChIKeyTZZAOXLNFGXFBW-UHFFFAOYSA-N
XLogP2.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
sodium;cobalt(3+);bis(3-methyl-4-[[2-oxido-5-(3-propan-2-yloxypropylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate)
CID 154734710
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22208644
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684332
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
butyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22774769

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (CID 19684333) is 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCCOC(C)C.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is TZZAOXLNFGXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13(2)23-12-8-11-18-24(21,22)17-14(3)19-20(15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,18H,8,11-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).