N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H9F3N6O — CID 19530979

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ncc(C#N)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N6O/c1-19-10(7(4-15)5-16-19)17-9(21)6-20-3-2-8(18-20)11(12,13)14/h2-3,5H,6H2,1H3,(H,17,21)
InChIKeyDRNBYYGYYIVAES-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.15
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530979) has the molecular formula C11H9F3N6O and a molecular weight of 298.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530979
Molecular FormulaC11H9F3N6O
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ncc(C#N)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N6O/c1-19-10(7(4-15)5-16-19)17-9(21)6-20-3-2-8(18-20)11(12,13)14/h2-3,5H,6H2,1H3,(H,17,21)
InChIKeyDRNBYYGYYIVAES-UHFFFAOYSA-N
XLogP1.15
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530979) is N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cn1ncc(C#N)c1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DRNBYYGYYIVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6O/c1-19-10(7(4-15)5-16-19)17-9(21)6-20-3-2-8(18-20)11(12,13)14/h2-3,5H,6H2,1H3,(H,17,21).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 298.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).