2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

C23H28F3N5O3 — CID 110200240

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C23H28F3N5O3/c1-16-12-19(23(24,25)26)29-31(16)15-21(33)28-14-22(34)30-11-7-3-6-10-27-20(32)13-18(30)17-8-4-2-5-9-17/h2,4-5,8-9,12,18H,3,6-7,10-11,13-15H2,1H3,(H,27,32)(H,28,33)
InChIKeyGSXLSRAZBBTTKD-UHFFFAOYSA-N
MW479.50 g/mol
LogP2.59
Rot. Bonds5

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (PubChem CID 110200240) has the molecular formula C23H28F3N5O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
PubChem CID110200240
Molecular FormulaC23H28F3N5O3
Molecular Weight479.50 g/mol
Exact Mass479.21
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C23H28F3N5O3/c1-16-12-19(23(24,25)26)29-31(16)15-21(33)28-14-22(34)30-11-7-3-6-10-27-20(32)13-18(30)17-8-4-2-5-9-17/h2,4-5,8-9,12,18H,3,6-7,10-11,13-15H2,1H3,(H,27,32)(H,28,33)
InChIKeyGSXLSRAZBBTTKD-UHFFFAOYSA-N
XLogP2.59
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (CID 110200240) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The InChIKey is GSXLSRAZBBTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O3/c1-16-12-19(23(24,25)26)29-31(16)15-21(33)28-14-22(34)30-11-7-3-6-10-27-20(32)13-18(30)17-8-4-2-5-9-17/h2,4-5,8-9,12,18H,3,6-7,10-11,13-15H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide has a molecular weight of 479.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is sourced from PubChem (CID 110200240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).