N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H22F3N3O — CID 47018724

IUPACN-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)
InChIKeySHIRGSXDGQCUHM-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47018724) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47018724
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)
InChIKeySHIRGSXDGQCUHM-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47018724) is N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SHIRGSXDGQCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-9-13(10(2)21(3)20-9)8-14(22)19-12-6-4-5-11(7-12)15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47018724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).