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

C18H24F3N3O — CID 19521928

IUPACN-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H24F3N3O/c1-11-2-15(18(19,20)21)24(23-11)9-16(25)22-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h2,12-14H,3-10H2,1H3,(H,22,25)
InChIKeyGYCDAJYXSVOGBE-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.54
Rot. Bonds4

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

N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19521928) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19521928
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H24F3N3O/c1-11-2-15(18(19,20)21)24(23-11)9-16(25)22-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h2,12-14H,3-10H2,1H3,(H,22,25)
InChIKeyGYCDAJYXSVOGBE-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521876
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 19521875
N-(1-adamantylmethyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527142
N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19520381
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 19522035
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 19522045
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
2-[2-(1-adamantylmethylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485553
N-(1,5-dimethylpyrazol-4-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521871
dimethyl 5-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19521769
N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112778992

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19521928) is N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)n(CC(=O)NCC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GYCDAJYXSVOGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-11-2-15(18(19,20)21)24(23-11)9-16(25)22-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h2,12-14H,3-10H2,1H3,(H,22,25).
What are the key properties of N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19521928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).