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

C19H26F3N3O — CID 19530828

IUPACN-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26F3N3O/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)23-17(26)11-25-4-3-16(24-25)19(20,21)22/h3-4,12-15H,2,5-11H2,1H3,(H,23,26)
InChIKeyHDDJLTBYBCVLAP-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.01
Rot. Bonds5

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

N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530828) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530828
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26F3N3O/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)23-17(26)11-25-4-3-16(24-25)19(20,21)22/h3-4,12-15H,2,5-11H2,1H3,(H,23,26)
InChIKeyHDDJLTBYBCVLAP-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.01
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)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530828) is N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HDDJLTBYBCVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)23-17(26)11-25-4-3-16(24-25)19(20,21)22/h3-4,12-15H,2,5-11H2,1H3,(H,23,26).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).