N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide

C13H18F3N3O — CID 122633598

IUPACN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C13H18F3N3O/c1-8-7-12(13(14,15)16)18-19(8)11-5-3-10(4-6-11)17-9(2)20/h7,10-11H,3-6H2,1-2H3,(H,17,20)
InChIKeyWIICSMIRQMWNNY-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.83
Rot. Bonds2

About N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide

N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide (PubChem CID 122633598) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide
PubChem CID122633598
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C13H18F3N3O/c1-8-7-12(13(14,15)16)18-19(8)11-5-3-10(4-6-11)17-9(2)20/h7,10-11H,3-6H2,1-2H3,(H,17,20)
InChIKeyWIICSMIRQMWNNY-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide (CID 122633598) is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1.
What is the InChIKey of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide?
The InChIKey is WIICSMIRQMWNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-7-12(13(14,15)16)18-19(8)11-5-3-10(4-6-11)17-9(2)20/h7,10-11H,3-6H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide?
N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 122633598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).