N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C7H8F3N3O — CID 19480288

IUPACN,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-11-6(14)4-3-5(7(8,9)10)12-13(4)2/h3H,1-2H3,(H,11,14)
InChIKeyJPPYQXSPIRBADP-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.80
Rot. Bonds1

About N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19480288) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19480288
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-11-6(14)4-3-5(7(8,9)10)12-13(4)2/h3H,1-2H3,(H,11,14)
InChIKeyJPPYQXSPIRBADP-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19480288) is N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JPPYQXSPIRBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-11-6(14)4-3-5(7(8,9)10)12-13(4)2/h3H,1-2H3,(H,11,14).
What are the key properties of N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19480288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).