N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide

C14H20N4O2S — CID 104709257

IUPACN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-12-4-6-13(7-5-12)18(11-3-9-15)21(19,20)14-8-10-16-17(14)2/h4-8,10H,3,9,11,15H2,1-2H3
InChIKeyDHAPMVVXBILVCZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds6

About N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide

N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide (PubChem CID 104709257) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
PubChem CID104709257
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-12-4-6-13(7-5-12)18(11-3-9-15)21(19,20)14-8-10-16-17(14)2/h4-8,10H,3,9,11,15H2,1-2H3
InChIKeyDHAPMVVXBILVCZ-UHFFFAOYSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 114243749
N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
CID 120710548
1-methyl-5-(4-methylphenyl)sulfonylpyrazole
CID 13334076
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102690371
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 102847530

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide (CID 104709257) is N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide is Cc1ccc(N(CCCN)S(=O)(=O)c2ccnn2C)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide?
The InChIKey is DHAPMVVXBILVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12-4-6-13(7-5-12)18(11-3-9-15)21(19,20)14-8-10-16-17(14)2/h4-8,10H,3,9,11,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide?
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).