2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane

C17H20F3N5O — CID 145199305

IUPAC2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane
SMILESCC.Cc1nn(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(N)c1C#N
InChIInChI=1S/C15H14F3N5O.C2H6/c1-8-12(7-19)13(20)23(22-8)9(2)14(24)21-11-5-3-10(4-6-11)15(16,17)18;1-2/h3-6,9H,20H2,1-2H3,(H,21,24);1-2H3
InChIKeyCAFPDNGECAHQTK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane

2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane (PubChem CID 145199305) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane.

Molecular Properties

Compound Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane
PubChem CID145199305
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane
SMILESCC.Cc1nn(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(N)c1C#N
InChIInChI=1S/C15H14F3N5O.C2H6/c1-8-12(7-19)13(20)23(22-8)9(2)14(24)21-11-5-3-10(4-6-11)15(16,17)18;1-2/h3-6,9H,20H2,1-2H3,(H,21,24);1-2H3
InChIKeyCAFPDNGECAHQTK-UHFFFAOYSA-N
XLogP3.89
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane 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 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane?
The IUPAC name of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane (CID 145199305) is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane.
What is the SMILES notation for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane?
The canonical SMILES for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane is CC.Cc1nn(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(N)c1C#N.
What is the InChIKey of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane?
The InChIKey is CAFPDNGECAHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O.C2H6/c1-8-12(7-19)13(20)23(22-8)9(2)14(24)21-11-5-3-10(4-6-11)15(16,17)18;1-2/h3-6,9H,20H2,1-2H3,(H,21,24);1-2H3.
What are the key properties of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane?
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane has a molecular weight of 367.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide;ethane is sourced from PubChem (CID 145199305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).