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

C23H27F3N4O2 — CID 57335891

IUPACN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H27F3N4O2/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/h8-11,13-15,31H,3-7,12H2,1-2H3,(H,27,32)
InChIKeyKHLOAQGNUQWCEX-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.02
Rot. Bonds5

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

N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (PubChem CID 57335891) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
PubChem CID57335891
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C23H27F3N4O2/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/h8-11,13-15,31H,3-7,12H2,1-2H3,(H,27,32)
InChIKeyKHLOAQGNUQWCEX-UHFFFAOYSA-N
XLogP5.02
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The IUPAC name of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (CID 57335891) is N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The InChIKey is KHLOAQGNUQWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/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/h8-11,13-15,31H,3-7,12H2,1-2H3,(H,27,32).
What are the key properties of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide has a molecular weight of 448.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is sourced from PubChem (CID 57335891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).