N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H24F3N3O — CID 42892076

IUPACN-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24F3N3O/c1-11(17-7-12-4-13(8-17)6-14(5-12)9-17)22-16(25)10-24-3-2-15(23-24)18(19,20)21/h2-3,11-14H,4-10H2,1H3,(H,22,25)
InChIKeyRYYVHMNVYXXHDC-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 42892076) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID42892076
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24F3N3O/c1-11(17-7-12-4-13(8-17)6-14(5-12)9-17)22-16(25)10-24-3-2-15(23-24)18(19,20)21/h2-3,11-14H,4-10H2,1H3,(H,22,25)
InChIKeyRYYVHMNVYXXHDC-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 42892076) is N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is RYYVHMNVYXXHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-11(17-7-12-4-13(8-17)6-14(5-12)9-17)22-16(25)10-24-3-2-15(23-24)18(19,20)21/h2-3,11-14H,4-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42892076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).