1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide

C13H17FN4O2S — CID 106031094

IUPAC1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCCN)c2)c(F)c1
InChIInChI=1S/C13H17FN4O2S/c1-10-3-4-13(12(14)7-10)17-21(19,20)11-8-16-18(9-11)6-2-5-15/h3-4,7-9,17H,2,5-6,15H2,1H3
InChIKeyYUOUHSJTSSATBF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.48
Rot. Bonds6

About 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 106031094) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
PubChem CID106031094
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCCN)c2)c(F)c1
InChIInChI=1S/C13H17FN4O2S/c1-10-3-4-13(12(14)7-10)17-21(19,20)11-8-16-18(9-11)6-2-5-15/h3-4,7-9,17H,2,5-6,15H2,1H3
InChIKeyYUOUHSJTSSATBF-UHFFFAOYSA-N
XLogP1.48
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
CID 106020893
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
CID 106053393
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106018448
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide (CID 106031094) is 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(CCCN)c2)c(F)c1.
What is the InChIKey of 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is YUOUHSJTSSATBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-10-3-4-13(12(14)7-10)17-21(19,20)11-8-16-18(9-11)6-2-5-15/h3-4,7-9,17H,2,5-6,15H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106031094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).