4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide

C13H17FN4O2S — CID 107509170

IUPAC4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-11-5-4-9(2)12(14)6-11/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyQZRAOLBGWBVIDJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.77
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107509170) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID107509170
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-11-5-4-9(2)12(14)6-11/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyQZRAOLBGWBVIDJ-UHFFFAOYSA-N
XLogP1.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
N-(4-bromo-2-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058502
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323
N-(2-bromo-6-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089680
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
4-(ethylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 106082919
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 107509170) is 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is QZRAOLBGWBVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-11-5-4-9(2)12(14)6-11/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107509170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).