N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C25H27F4N5O3S — CID 67200354

About N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 67200354) has the molecular formula C25H27F4N5O3S and a molecular weight of 553.58 g/mol. Its IUPAC name is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
• PubChem CID: 67200354
• Molecular Formula: C25H27F4N5O3S
• Molecular Weight: 553.58 g/mol
• Exact Mass: 553.18
• IUPAC Name: N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CCO)S(=O)(=O)c1cn(C)nc1C(F)(F)F)CC2
• InChI: InChI=1S/C25H27F4N5O3S/c1-15-20-12-30-34(19-7-5-18(26)6-8-19)21(20)11-16-3-4-17(23(15)16)13-33(9-10-35)38(36,37)22-14-32(2)31-24(22)25(27,28)29/h5-8,11-12,14-15,17,30,35H,3-4,9-10,13H2,1-2H3/t15-,17+/m0/s1
• InChIKey: BIWAGWOIMCRIQT-DOTOQJQBSA-N
• XLogP: 3.71
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.58
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 67200354) is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

What is the SMILES notation for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The canonical SMILES for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CCO)S(=O)(=O)c1cn(C)nc1C(F)(F)F)CC2.

What is the InChIKey of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

The InChIKey is BIWAGWOIMCRIQT-DOTOQJQBSA-N. The full InChI is InChI=1S/C25H27F4N5O3S/c1-15-20-12-30-34(19-7-5-18(26)6-8-19)21(20)11-16-3-4-17(23(15)16)13-33(9-10-35)38(36,37)22-14-32(2)31-24(22)25(27,28)29/h5-8,11-12,14-15,17,30,35H,3-4,9-10,13H2,1-2H3/t15-,17+/m0/s1.

What are the key properties of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 553.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 67200354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).