N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine

C17H25FN4O2S — CID 86998729

IUPACN-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCN(CC)S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H25FN4O2S/c1-4-22(5-2)25(23,24)21(3)12-6-7-16-13-17(20-19-16)14-8-10-15(18)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyJKLUZWSCZHIZKB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.67
Rot. Bonds9

About N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine

N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (PubChem CID 86998729) has the molecular formula C17H25FN4O2S and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
PubChem CID86998729
Molecular FormulaC17H25FN4O2S
Molecular Weight368.48 g/mol
Exact Mass368.17
IUPAC NameN-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCN(CC)S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H25FN4O2S/c1-4-22(5-2)25(23,24)21(3)12-6-7-16-13-17(20-19-16)14-8-10-15(18)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyJKLUZWSCZHIZKB-UHFFFAOYSA-N
XLogP2.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-methylsulfonylbenzenesulfonamide
CID 55914160
1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
CID 56587065
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
1-(3,4-dichlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]methanesulfonamide
CID 56582174
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 55867788
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
2-fluoro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,5-dimethylbenzenesulfonamide
CID 55913693
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392

Frequently Asked Questions

What is the IUPAC name of N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (CID 86998729) is N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is CCN(CC)S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is JKLUZWSCZHIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2S/c1-4-22(5-2)25(23,24)21(3)12-6-7-16-13-17(20-19-16)14-8-10-15(18)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,19,20).
What are the key properties of N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 368.48 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 86998729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).