N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

C17H25N3O4S — CID 131930163

IUPACN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O4S/c1-14-17(13-19(2)18-14)25(21,22)20(9-6-10-23-3)12-15-7-5-8-16(11-15)24-4/h5,7-8,11,13H,6,9-10,12H2,1-4H3
InChIKeyWXDDKIOZTGBTQS-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.96
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 131930163) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID131930163
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O4S/c1-14-17(13-19(2)18-14)25(21,22)20(9-6-10-23-3)12-15-7-5-8-16(11-15)24-4/h5,7-8,11,13H,6,9-10,12H2,1-4H3
InChIKeyWXDDKIOZTGBTQS-UHFFFAOYSA-N
XLogP1.96
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide
CID 131912897
3-fluoro-N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 131936762
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 17378962
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
CID 131946745
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 144897485
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
(2S)-1-[(3-methoxyphenyl)methyl-(3-methoxypropyl)amino]butan-2-ol
CID 93162876

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 131930163) is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is COCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is WXDDKIOZTGBTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14-17(13-19(2)18-14)25(21,22)20(9-6-10-23-3)12-15-7-5-8-16(11-15)24-4/h5,7-8,11,13H,6,9-10,12H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 131930163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).