3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C13H12F3N3O — CID 63188295

IUPAC3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H12F3N3O/c1-7(2)19-11(3-4-17-19)18-13(20)8-5-9(14)12(16)10(15)6-8/h3-7H,1-2H3,(H,18,20)
InChIKeyMGQXYNWCTMOZMQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.13
Rot. Bonds3

About 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide

3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 63188295) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID63188295
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H12F3N3O/c1-7(2)19-11(3-4-17-19)18-13(20)8-5-9(14)12(16)10(15)6-8/h3-7H,1-2H3,(H,18,20)
InChIKeyMGQXYNWCTMOZMQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 63188295) is 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is MGQXYNWCTMOZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7(2)19-11(3-4-17-19)18-13(20)8-5-9(14)12(16)10(15)6-8/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 283.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 63188295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).