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

C15H22F3N3O2 — CID 122143501

IUPACN-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H22F3N3O2/c1-10-13(11(2)21(3)20-10)23-9-12(22)19-14(15(16,17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,19,22)
InChIKeyOQXSJIVWCCBEBF-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.80
Rot. Bonds4

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

N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 122143501) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID122143501
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC NameN-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H22F3N3O2/c1-10-13(11(2)21(3)20-10)23-9-12(22)19-14(15(16,17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,19,22)
InChIKeyOQXSJIVWCCBEBF-UHFFFAOYSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 122143501) is N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1nn(C)c(C)c1OCC(=O)NC1(C(F)(F)F)CCCCC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is OQXSJIVWCCBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10-13(11(2)21(3)20-10)23-9-12(22)19-14(15(16,17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 333.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 122143501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).