5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid

C10H8F3N5O2 — CID 167853993

IUPAC5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccn(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)18-2-1-6(17-18)3-15-8-5-14-7(4-16-8)9(19)20/h1-2,4-5H,3H2,(H,15,16)(H,19,20)
InChIKeySJQUAJFWDVFYSV-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.46
Rot. Bonds4

About 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid

5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 167853993) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid
PubChem CID167853993
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccn(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)18-2-1-6(17-18)3-15-8-5-14-7(4-16-8)9(19)20/h1-2,4-5H,3H2,(H,15,16)(H,19,20)
InChIKeySJQUAJFWDVFYSV-UHFFFAOYSA-N
XLogP1.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid 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-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid (CID 167853993) is 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCc2ccn(C(F)(F)F)n2)cn1.
What is the InChIKey of 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is SJQUAJFWDVFYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c11-10(12,13)18-2-1-6(17-18)3-15-8-5-14-7(4-16-8)9(19)20/h1-2,4-5H,3H2,(H,15,16)(H,19,20).
What are the key properties of 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 287.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)pyrazol-3-yl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167853993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).