1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea

C24H20F3N5O3S — CID 22244518

IUPAC1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea
SMILESO=C(NCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C24H20F3N5O3S/c25-24(26,27)22-15-21(18-5-2-1-3-6-18)32(30-22)19-10-8-17(9-11-19)12-14-29-23(33)31-36(34,35)20-7-4-13-28-16-20/h1-11,13,15-16H,12,14H2,(H2,29,31,33)
InChIKeyHYPBFXJQZHZDPF-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.18
Rot. Bonds7

About 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea

1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea (PubChem CID 22244518) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea.

Molecular Properties

Compound Name1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea
PubChem CID22244518
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC Name1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea
SMILESO=C(NCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C24H20F3N5O3S/c25-24(26,27)22-15-21(18-5-2-1-3-6-18)32(30-22)19-10-8-17(9-11-19)12-14-29-23(33)31-36(34,35)20-7-4-13-28-16-20/h1-11,13,15-16H,12,14H2,(H2,29,31,33)
InChIKeyHYPBFXJQZHZDPF-UHFFFAOYSA-N
XLogP4.18
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea 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

1-(3-(5-Phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl)propyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 52951990
4-{5-Phenyl-3-[3-(3-phenyl-ureido)-propyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951863
4-(5-Phenyl-3-{2-[3-(3-trifluoromethyl-phenyl)-ureido]-ethyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951275
4-{5-Phenyl-3-[3-(3-trifluoromethyl-phenyl)-ureidomethyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951613
4-(5-Phenyl-3-{3-[3-(3-trifluoromethyl-phenyl)-ureido]-propyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951735
4-(5-p-Tolyl-3-{3-[3-(3-trifluoromethyl-phenyl)-ureido]-propyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951736
1-[4-(1-Methylpyrazol-4-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610560
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490753
3-(4-{[2-fluoro-4-(1H-pyrazol-1-yl)benzene]sulfonyl}phenyl)-1-(pyridin-3-ylmethyl)urea
CID 66610305
4-fluoro-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-ylcarbamoyl)benzenesulfonamide
CID 45270273
1-(1-phenyl-2-(1H-pyrazol-1-yl)ethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 45273801
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 45273802

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea?
The IUPAC name of 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea (CID 22244518) is 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea.
What is the SMILES notation for 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea?
The canonical SMILES for 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea is O=C(NCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea?
The InChIKey is HYPBFXJQZHZDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-15-21(18-5-2-1-3-6-18)32(30-22)19-10-8-17(9-11-19)12-14-29-23(33)31-36(34,35)20-7-4-13-28-16-20/h1-11,13,15-16H,12,14H2,(H2,29,31,33).
What are the key properties of 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea?
1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea has a molecular weight of 515.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-3-pyridin-3-ylsulfonylurea is sourced from PubChem (CID 22244518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).