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

C19H29FN4O2S — CID 47065270

IUPACN-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C19H29FN4O2S/c1-4-11-24(12-5-2)27(25,26)23(3)13-7-10-18-15-19(22-21-18)16-8-6-9-17(20)14-16/h6,8-9,14-15H,4-5,7,10-13H2,1-3H3,(H,21,22)
InChIKeyTUTUAGLZUPUUAL-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.45
Rot. Bonds11

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

N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (PubChem CID 47065270) has the molecular formula C19H29FN4O2S and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
PubChem CID47065270
Molecular FormulaC19H29FN4O2S
Molecular Weight396.53 g/mol
Exact Mass396.20
IUPAC NameN-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C19H29FN4O2S/c1-4-11-24(12-5-2)27(25,26)23(3)13-7-10-18-15-19(22-21-18)16-8-6-9-17(20)14-16/h6,8-9,14-15H,4-5,7,10-13H2,1-3H3,(H,21,22)
InChIKeyTUTUAGLZUPUUAL-UHFFFAOYSA-N
XLogP3.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
3-(2-Fluorophenyl)-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepine
CID 135367858
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
4-(4-Methyl-5-phenyl-1H-pyrazol-3-yl)-1-phenethyl-1,2,3,6-tetrahydro-pyridine
CID 10617366
3-(4-fluorophenyl)-5-(4-methylphenyl)-1H-pyrazole
CID 16105480
3-(4-Fluorophenyl)-1,4,5,6,7,8-Hexahydropyrazolo[3,4-D]Azepine
CID 124247485
3-(3-Fluorophenyl)-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepine
CID 135367869

Frequently Asked Questions

What is the IUPAC name of N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (CID 47065270) is N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is CCCN(CCC)S(=O)(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is TUTUAGLZUPUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2S/c1-4-11-24(12-5-2)27(25,26)23(3)13-7-10-18-15-19(22-21-18)16-8-6-9-17(20)14-16/h6,8-9,14-15H,4-5,7,10-13H2,1-3H3,(H,21,22).
What are the key properties of N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 396.53 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 47065270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).