N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide

C8H7F3N4O — CID 79504492

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
SMILESN#Cc1cn[nH]c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)2-1-6(16)14-7-5(3-12)4-13-15-7/h4H,1-2H2,(H2,13,14,15,16)
InChIKeyGSTHUUZNNAYJCS-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.56
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide

N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide (PubChem CID 79504492) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
PubChem CID79504492
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
SMILESN#Cc1cn[nH]c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)2-1-6(16)14-7-5(3-12)4-13-15-7/h4H,1-2H2,(H2,13,14,15,16)
InChIKeyGSTHUUZNNAYJCS-UHFFFAOYSA-N
XLogP1.56
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide 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-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide (CID 79504492) is N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide is N#Cc1cn[nH]c1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The InChIKey is GSTHUUZNNAYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c9-8(10,11)2-1-6(16)14-7-5(3-12)4-13-15-7/h4H,1-2H2,(H2,13,14,15,16).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide has a molecular weight of 232.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 79504492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).