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

C15H20F3N3O2 — CID 97065089

IUPAC2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-8-12(9(2)21(3)20-8)13(22)14(23)19-11-7-5-4-6-10(11)15(16,17)18/h10-11H,4-7H2,1-3H3,(H,19,23)/t10-,11+/m1/s1
InChIKeyPYOPUIQUUIOHPZ-MNOVXSKESA-N
MW331.34 g/mol
LogP2.46
Rot. Bonds3

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

2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 97065089) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID97065089
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-8-12(9(2)21(3)20-8)13(22)14(23)19-11-7-5-4-6-10(11)15(16,17)18/h10-11H,4-7H2,1-3H3,(H,19,23)/t10-,11+/m1/s1
InChIKeyPYOPUIQUUIOHPZ-MNOVXSKESA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 97065089) is 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PYOPUIQUUIOHPZ-MNOVXSKESA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-8-12(9(2)21(3)20-8)13(22)14(23)19-11-7-5-4-6-10(11)15(16,17)18/h10-11H,4-7H2,1-3H3,(H,19,23)/t10-,11+/m1/s1.
What are the key properties of 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 97065089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).