N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide

C14H20N4O2S — CID 60912336

IUPACN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-11-4-6-13(7-5-11)18(9-3-8-15)21(19,20)14-10-16-17-12(14)2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyAFZPXVMYQBVWHX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.57
Rot. Bonds6

About N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide

N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60912336) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60912336
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-11-4-6-13(7-5-11)18(9-3-8-15)21(19,20)14-10-16-17-12(14)2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyAFZPXVMYQBVWHX-UHFFFAOYSA-N
XLogP1.57
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
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)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
CID 60910822
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102690371
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 60912336) is N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1ccc(N(CCCN)S(=O)(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AFZPXVMYQBVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-4-6-13(7-5-11)18(9-3-8-15)21(19,20)14-10-16-17-12(14)2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide?
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).