N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

C16H25ClN4O2S — CID 120664341

IUPACN-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-13-16(14(2)19(3)18-13)23(21,22)20(11-7-10-17)12-15-8-5-4-6-9-15;/h4-6,8-9H,7,10-12,17H2,1-3H3;1H
InChIKeyBLWGDOUKAYDLDL-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.00
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 120664341) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID120664341
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-13-16(14(2)19(3)18-13)23(21,22)20(11-7-10-17)12-15-8-5-4-6-9-15;/h4-6,8-9H,7,10-12,17H2,1-3H3;1H
InChIKeyBLWGDOUKAYDLDL-UHFFFAOYSA-N
XLogP2.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120584267
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120713830
methyl (2R)-3-[benzyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 52519501
N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
CID 107366734
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
ethyl 4-[[benzyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091953
N-(3-aminopropyl)-N-benzyl-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664281
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664064
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N,N-dibenzyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19614787
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (CID 120664341) is N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is BLWGDOUKAYDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.ClH/c1-13-16(14(2)19(3)18-13)23(21,22)20(11-7-10-17)12-15-8-5-4-6-9-15;/h4-6,8-9H,7,10-12,17H2,1-3H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120664341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).