5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C7H8F3N3O — CID 67959315

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-5(6(11)14)2-12-13(4)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14)
InChIKeyYZVHDIKKARMHKA-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.85
Rot. Bonds2

About 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 67959315) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID67959315
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-5(6(11)14)2-12-13(4)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14)
InChIKeyYZVHDIKKARMHKA-UHFFFAOYSA-N
XLogP0.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(2,2,2-trifluoroethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 67959315) is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(N)=O)cnn1CC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is YZVHDIKKARMHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-5(6(11)14)2-12-13(4)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14).
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 67959315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).