4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole

C18H17F3N4O2S — CID 166565612

IUPAC4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C18H17F3N4O2S/c1-24(2)28(26,27)23-16-5-3-4-13(10-16)14-11-22-25(12-14)17-8-6-15(7-9-17)18(19,20)21/h3-12,23H,1-2H3
InChIKeyLBWLRTSCQVOYBQ-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.78
Rot. Bonds5

About 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole

4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 166565612) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID166565612
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C18H17F3N4O2S/c1-24(2)28(26,27)23-16-5-3-4-13(10-16)14-11-22-25(12-14)17-8-6-15(7-9-17)18(19,20)21/h3-12,23H,1-2H3
InChIKeyLBWLRTSCQVOYBQ-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-N-phenyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-6-sulfonamide
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(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
CID 16187218
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}cyclopropanamine
CID 16190090
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192289
N-{4-[2-(4-Dimethylamino-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-methanesulfonamide
CID 44290866
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086
2-(4-methylpiperazin-1-yl)-N-[[3-(o-tolyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 72547035
2-(4-methylpiperazin-1-yl)-N-[[3-(o-tolyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 72547292

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 166565612) is 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole is CN(C)S(=O)(=O)Nc1cccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1.
What is the InChIKey of 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is LBWLRTSCQVOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-24(2)28(26,27)23-16-5-3-4-13(10-16)14-11-22-25(12-14)17-8-6-15(7-9-17)18(19,20)21/h3-12,23H,1-2H3.
What are the key properties of 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 410.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 166565612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).