1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide

C20H21F2N3O2S — CID 56587065

IUPAC1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H21F2N3O2S/c1-25(28(26,27)14-15-4-2-5-18(22)12-15)11-3-6-19-13-20(24-23-19)16-7-9-17(21)10-8-16/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,24)
InChIKeyTXQHGMKOBFZKGA-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.75
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide

1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide (PubChem CID 56587065) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
PubChem CID56587065
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC Name1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H21F2N3O2S/c1-25(28(26,27)14-15-4-2-5-18(22)12-15)11-3-6-19-13-20(24-23-19)16-7-9-17(21)10-8-16/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,24)
InChIKeyTXQHGMKOBFZKGA-UHFFFAOYSA-N
XLogP3.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]methanesulfonamide
CID 56582174
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-methylsulfonylbenzenesulfonamide
CID 55914160
N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 86998729
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270
2-fluoro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,5-dimethylbenzenesulfonamide
CID 55913693
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 55986241
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
CID 55954871
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide (CID 56587065) is 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide?
The InChIKey is TXQHGMKOBFZKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-25(28(26,27)14-15-4-2-5-18(22)12-15)11-3-6-19-13-20(24-23-19)16-7-9-17(21)10-8-16/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,24).
What are the key properties of 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide?
1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).