3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide

C8H9F3N4O2 — CID 70114668

IUPAC3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
SMILESCNC(=O)c1nn(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C8H9F3N4O2/c1-13-7(17)5-4(6(12)16)2-15(14-5)3-8(9,10)11/h2H,3H2,1H3,(H2,12,16)(H,13,17)
InChIKeyYUUSWYNTZXHVLC-UHFFFAOYSA-N
MW250.18 g/mol
LogP-0.10
Rot. Bonds3

About 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide

3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide (PubChem CID 70114668) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
PubChem CID70114668
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
SMILESCNC(=O)c1nn(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C8H9F3N4O2/c1-13-7(17)5-4(6(12)16)2-15(14-5)3-8(9,10)11/h2H,3H2,1H3,(H2,12,16)(H,13,17)
InChIKeyYUUSWYNTZXHVLC-UHFFFAOYSA-N
XLogP-0.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide 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 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide (CID 70114668) is 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide is CNC(=O)c1nn(CC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide?
The InChIKey is YUUSWYNTZXHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-13-7(17)5-4(6(12)16)2-15(14-5)3-8(9,10)11/h2H,3H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide?
3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide has a molecular weight of 250.18 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 70114668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).