N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H25F3N4O2 — CID 55527631

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)CC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-12(2)9-13(22-5-7-25-8-6-22)10-20-15(24)11-23-4-3-14(21-23)16(17,18)19/h3-4,12-13H,5-11H2,1-2H3,(H,20,24)
InChIKeyYCGVVRGTDXHJAU-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.76
Rot. Bonds7

About N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55527631) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55527631
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)CC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-12(2)9-13(22-5-7-25-8-6-22)10-20-15(24)11-23-4-3-14(21-23)16(17,18)19/h3-4,12-13H,5-11H2,1-2H3,(H,20,24)
InChIKeyYCGVVRGTDXHJAU-UHFFFAOYSA-N
XLogP1.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55527631) is N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)CC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YCGVVRGTDXHJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-12(2)9-13(22-5-7-25-8-6-22)10-20-15(24)11-23-4-3-14(21-23)16(17,18)19/h3-4,12-13H,5-11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55527631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).