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

C22H25F3N4O2 — CID 57335608

IUPACN-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCC1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C22H25F3N4O2/c1-13(18-12-28(2)19-8-7-16(30)10-17(18)19)21(31)26-11-15-9-20(22(23,24)25)27-29(15)14-5-3-4-6-14/h7-10,12-14,30H,3-6,11H2,1-2H3,(H,26,31)
InChIKeyZSGFDOYQVNKTPV-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.63
Rot. Bonds5

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

N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (PubChem CID 57335608) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
PubChem CID57335608
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCC1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C22H25F3N4O2/c1-13(18-12-28(2)19-8-7-16(30)10-17(18)19)21(31)26-11-15-9-20(22(23,24)25)27-29(15)14-5-3-4-6-14/h7-10,12-14,30H,3-6,11H2,1-2H3,(H,26,31)
InChIKeyZSGFDOYQVNKTPV-UHFFFAOYSA-N
XLogP4.63
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The IUPAC name of N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide (CID 57335608) is N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1C1CCCC1)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
The InChIKey is ZSGFDOYQVNKTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-13(18-12-28(2)19-8-7-16(30)10-17(18)19)21(31)26-11-15-9-20(22(23,24)25)27-29(15)14-5-3-4-6-14/h7-10,12-14,30H,3-6,11H2,1-2H3,(H,26,31).
What are the key properties of N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide?
N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide has a molecular weight of 434.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(5-hydroxy-1-methylindol-3-yl)propanamide is sourced from PubChem (CID 57335608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).