N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide

C23H20F4N4O2 — CID 57336041

IUPACN-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H20F4N4O2/c1-13(19-12-30(2)20-8-7-17(32)10-18(19)20)22(33)28-11-16-9-21(23(25,26)27)29-31(16)15-5-3-14(24)4-6-15/h3-10,12-13,32H,11H2,1-2H3,(H,28,33)
InChIKeyXXVUBABPCKFCIL-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.65
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide

N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (PubChem CID 57336041) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
PubChem CID57336041
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC NameN-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H20F4N4O2/c1-13(19-12-30(2)20-8-7-17(32)10-18(19)20)22(33)28-11-16-9-21(23(25,26)27)29-31(16)15-5-3-14(24)4-6-15/h3-10,12-13,32H,11H2,1-2H3,(H,28,33)
InChIKeyXXVUBABPCKFCIL-UHFFFAOYSA-N
XLogP4.65
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (CID 57336041) is N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The InChIKey is XXVUBABPCKFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c1-13(19-12-30(2)20-8-7-17(32)10-18(19)20)22(33)28-11-16-9-21(23(25,26)27)29-31(16)15-5-3-14(24)4-6-15/h3-10,12-13,32H,11H2,1-2H3,(H,28,33).
What are the key properties of N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide has a molecular weight of 460.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is sourced from PubChem (CID 57336041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).