2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C14H14F3N3O — CID 856236

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-9-6-10(2)20(19-9)8-13(21)18-12-5-3-4-11(7-12)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyDERBQRRPHWJKMQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.16
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 856236) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID856236
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-9-6-10(2)20(19-9)8-13(21)18-12-5-3-4-11(7-12)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyDERBQRRPHWJKMQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 856236) is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DERBQRRPHWJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9-6-10(2)20(19-9)8-13(21)18-12-5-3-4-11(7-12)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 297.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 856236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).