5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C13H9F3N4O — CID 70503319

IUPAC5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESN#Cc1c(C(N)=O)cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)9-3-1-2-8(4-9)7-20-11(5-17)10(6-19-20)12(18)21/h1-4,6H,7H2,(H2,18,21)
InChIKeyFATDYAFPQGAHPX-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.92
Rot. Bonds3

About 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 70503319) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID70503319
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESN#Cc1c(C(N)=O)cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)9-3-1-2-8(4-9)7-20-11(5-17)10(6-19-20)12(18)21/h1-4,6H,7H2,(H2,18,21)
InChIKeyFATDYAFPQGAHPX-UHFFFAOYSA-N
XLogP1.92
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[1-cyano-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
CID 70492108
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390
5-cyano-N-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23320436
2-N-[1-[(3-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171356
1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 66917064
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392878
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
1-methyl-4-[[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496389

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 70503319) is 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is N#Cc1c(C(N)=O)cnn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FATDYAFPQGAHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)9-3-1-2-8(4-9)7-20-11(5-17)10(6-19-20)12(18)21/h1-4,6H,7H2,(H2,18,21).
What are the key properties of 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 294.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70503319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).