3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide

C21H17F4N5O2S — CID 22205620

IUPAC3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C21H17F4N5O2S/c1-12-21(13(2)30(26-12)14-6-4-3-5-7-14)33(31,32)28-18-8-9-29(27-18)11-15-19(24)16(22)10-17(23)20(15)25/h3-10H,11H2,1-2H3,(H,27,28)
InChIKeyPOCFJBROPLVEDM-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.09
Rot. Bonds6

About 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide

3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide (PubChem CID 22205620) has the molecular formula C21H17F4N5O2S and a molecular weight of 479.46 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide
PubChem CID22205620
Molecular FormulaC21H17F4N5O2S
Molecular Weight479.46 g/mol
Exact Mass479.10
IUPAC Name3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C21H17F4N5O2S/c1-12-21(13(2)30(26-12)14-6-4-3-5-7-14)33(31,32)28-18-8-9-29(27-18)11-15-19(24)16(22)10-17(23)20(15)25/h3-10H,11H2,1-2H3,(H,27,28)
InChIKeyPOCFJBROPLVEDM-UHFFFAOYSA-N
XLogP4.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide 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

N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22207026
2,4-dimethoxy-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22205592
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22205571
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 22205652
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide (CID 22205620) is 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide?
The InChIKey is POCFJBROPLVEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2S/c1-12-21(13(2)30(26-12)14-6-4-3-5-7-14)33(31,32)28-18-8-9-29(27-18)11-15-19(24)16(22)10-17(23)20(15)25/h3-10H,11H2,1-2H3,(H,27,28).
What are the key properties of 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide?
3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide has a molecular weight of 479.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22205620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).