1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole

C18H12F6N2O2S — CID 582055

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C18H12F6N2O2S/c1-11-16(12-5-3-2-4-6-12)10-26(25-11)29(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-10H,1H3
InChIKeyVDMGBTFBKZFKST-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.13
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole

1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole (PubChem CID 582055) has the molecular formula C18H12F6N2O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole
PubChem CID582055
Molecular FormulaC18H12F6N2O2S
Molecular Weight434.36 g/mol
Exact Mass434.05
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C18H12F6N2O2S/c1-11-16(12-5-3-2-4-6-12)10-26(25-11)29(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-10H,1H3
InChIKeyVDMGBTFBKZFKST-UHFFFAOYSA-N
XLogP5.13
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
N-[2-[1-(benzenesulfonyl)pyrazol-3-yl]-6-methylphenyl]benzenesulfonamide
CID 155558239
5-Benzhydryl-1-(trifluoromethylsulfonyl)pyrazole
CID 2806046
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
5-(4-Fluorophenyl)-4-iodo-1-(4-methylphenyl)sulfonylpyrazole
CID 164680520
1-(4-Chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
CID 2805335
1-(Benzenesulfonyl)-5-benzhydrylpyrazole
CID 2806042
1-(Benzenesulfonyl)-3-[4-(2-phenylethynyl)phenyl]pyrazole
CID 2822661
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
1-(4-Methylphenyl)sulfonyl-3-phenylpyrazole
CID 12588997
N-tosyl-4-phenylpyrazole
CID 11254999

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole (CID 582055) is 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole is Cc1nn(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccccc1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole?
The InChIKey is VDMGBTFBKZFKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2S/c1-11-16(12-5-3-2-4-6-12)10-26(25-11)29(27,28)15-8-13(17(19,20)21)7-14(9-15)18(22,23)24/h2-10H,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole?
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole has a molecular weight of 434.36 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-methyl-4-phenylpyrazole is sourced from PubChem (CID 582055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).