N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

C19H31ClN4O2S — CID 120713830

IUPACN-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C19H30N4O2S.ClH/c1-15(2)13-23-17(4)19(16(3)21-23)26(24,25)22(12-8-11-20)14-18-9-6-5-7-10-18;/h5-7,9-10,15H,8,11-14,20H2,1-4H3;1H
InChIKeyVRPXPBKCYDNTQH-UHFFFAOYSA-N
MW415.00 g/mol
LogP3.12
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120713830) has the molecular formula C19H31ClN4O2S and a molecular weight of 415.00 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120713830
Molecular FormulaC19H31ClN4O2S
Molecular Weight415.00 g/mol
Exact Mass414.19
IUPAC NameN-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C19H30N4O2S.ClH/c1-15(2)13-23-17(4)19(16(3)21-23)26(24,25)22(12-8-11-20)14-18-9-6-5-7-10-18;/h5-7,9-10,15H,8,11-14,20H2,1-4H3;1H
InChIKeyVRPXPBKCYDNTQH-UHFFFAOYSA-N
XLogP3.12
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.00
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120664341
N-(2-aminoethyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120584267
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N,N-dibenzyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19614787
N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
CID 107366734
N-(3-aminopropyl)-N-benzyl-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664281
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
CID 8891296
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664064
methyl (2R)-3-[benzyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 52519501
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120712202

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120713830) is N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(CCCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is VRPXPBKCYDNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S.ClH/c1-15(2)13-23-17(4)19(16(3)21-23)26(24,25)22(12-8-11-20)14-18-9-6-5-7-10-18;/h5-7,9-10,15H,8,11-14,20H2,1-4H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 415.00 g/mol, XLogP of 3.12, 9 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-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120713830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).