N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H24N4O3S — CID 112502925

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N(C)C)cc1
InChIInChI=1S/C16H24N4O3S/c1-11-16(12(2)19-18-11)24(21,22)17-10-15(20(3)4)13-6-8-14(23-5)9-7-13/h6-9,15,17H,10H2,1-5H3,(H,18,19)
InChIKeyZLGUTTOMLPTXPP-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 112502925) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID112502925
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N(C)C)cc1
InChIInChI=1S/C16H24N4O3S/c1-11-16(12(2)19-18-11)24(21,22)17-10-15(20(3)4)13-6-8-14(23-5)9-7-13/h6-9,15,17H,10H2,1-5H3,(H,18,19)
InChIKeyZLGUTTOMLPTXPP-UHFFFAOYSA-N
XLogP1.62
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60700187
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110705723
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 92614256
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122294781
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43398042
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 112502925) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZLGUTTOMLPTXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11-16(12(2)19-18-11)24(21,22)17-10-15(20(3)4)13-6-8-14(23-5)9-7-13/h6-9,15,17H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112502925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).