N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C20H28F3N3O — CID 19521876

IUPACN-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28F3N3O/c1-3-16(19-8-13-5-14(9-19)7-15(6-13)10-19)24-18(27)11-26-17(20(21,22)23)4-12(2)25-26/h4,13-16H,3,5-11H2,1-2H3,(H,24,27)
InChIKeyVFOGLNWQPGBTES-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19521876) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19521876
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC NameN-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28F3N3O/c1-3-16(19-8-13-5-14(9-19)7-15(6-13)10-19)24-18(27)11-26-17(20(21,22)23)4-12(2)25-26/h4,13-16H,3,5-11H2,1-2H3,(H,24,27)
InChIKeyVFOGLNWQPGBTES-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
CID 124751289
N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521928
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
N-[1-(1-adamantyl)propyl]-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 4773020
N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447413
N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521888
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 19521875
N-[1-(1-adamantyl)propyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535019
N-[(1R)-1-(1-adamantyl)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 7305843
N-[1-(1-adamantyl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 19585483
N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 40726754
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19521876) is N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is CCC(NC(=O)Cn1nc(C)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VFOGLNWQPGBTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-3-16(19-8-13-5-14(9-19)7-15(6-13)10-19)24-18(27)11-26-17(20(21,22)23)4-12(2)25-26/h4,13-16H,3,5-11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 4.32, 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-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19521876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).