N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H16F3N3O3 — CID 103877513

IUPACN-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCC(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O3/c1-20-7-8(18)2-4-15-10(19)6-17-5-3-9(16-17)11(12,13)14/h3,5,8,18H,2,4,6-7H2,1H3,(H,15,19)
InChIKeyQKCGTSJCPPHXCW-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.42
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 103877513) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID103877513
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCC(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O3/c1-20-7-8(18)2-4-15-10(19)6-17-5-3-9(16-17)11(12,13)14/h3,5,8,18H,2,4,6-7H2,1H3,(H,15,19)
InChIKeyQKCGTSJCPPHXCW-UHFFFAOYSA-N
XLogP0.42
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 103877513) is N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCC(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QKCGTSJCPPHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-20-7-8(18)2-4-15-10(19)6-17-5-3-9(16-17)11(12,13)14/h3,5,8,18H,2,4,6-7H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 295.26 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 103877513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).