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

C23H21F3N4O2 — CID 57336040

IUPAC2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccccc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H21F3N4O2/c1-14(19-13-29(2)20-9-8-17(31)11-18(19)20)22(32)27-12-16-10-21(23(24,25)26)28-30(16)15-6-4-3-5-7-15/h3-11,13-14,31H,12H2,1-2H3,(H,27,32)
InChIKeyKRCAKVQNINNZPM-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.51
Rot. Bonds5

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

2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 57336040) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID57336040
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccccc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H21F3N4O2/c1-14(19-13-29(2)20-9-8-17(31)11-18(19)20)22(32)27-12-16-10-21(23(24,25)26)28-30(16)15-6-4-3-5-7-15/h3-11,13-14,31H,12H2,1-2H3,(H,27,32)
InChIKeyKRCAKVQNINNZPM-UHFFFAOYSA-N
XLogP4.51
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 57336040) is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccccc1)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is KRCAKVQNINNZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14(19-13-29(2)20-9-8-17(31)11-18(19)20)22(32)27-12-16-10-21(23(24,25)26)28-30(16)15-6-4-3-5-7-15/h3-11,13-14,31H,12H2,1-2H3,(H,27,32).
What are the key properties of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 442.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 57336040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).