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

C13H18F3N3O — CID 47005565

IUPACN-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-9-4-2-3-5-10(9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)
InChIKeyAYBLSBUVUFIFOW-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.60
Rot. Bonds3

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

N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47005565) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47005565
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-9-4-2-3-5-10(9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)
InChIKeyAYBLSBUVUFIFOW-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47005565) is N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC1CCCCC1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AYBLSBUVUFIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-4-2-3-5-10(9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20).
What are the key properties of N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47005565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).