N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide

C7H8F3N3O — CID 130163754

IUPACN-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1cc(NC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-4-3-5(12-13(4)2)11-6(14)7(8,9)10/h3H,1-2H3,(H,11,12,14)
InChIKeyCVAMZAFJPLPASM-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.23
Rot. Bonds1

About N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide

N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 130163754) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID130163754
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1cc(NC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-4-3-5(12-13(4)2)11-6(14)7(8,9)10/h3H,1-2H3,(H,11,12,14)
InChIKeyCVAMZAFJPLPASM-UHFFFAOYSA-N
XLogP1.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide (CID 130163754) is N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide is Cc1cc(NC(=O)C(F)(F)F)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is CVAMZAFJPLPASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-3-5(12-13(4)2)11-6(14)7(8,9)10/h3H,1-2H3,(H,11,12,14).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide?
N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 207.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130163754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).