1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide

C9H6F3N5O — CID 123184124

IUPAC1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6F3N5O/c10-9(11,12)6-3-14-4-7(15-6)17-2-1-5(16-17)8(13)18/h1-4H,(H2,13,18)
InChIKeyRLWHXIVRFAPJRW-UHFFFAOYSA-N
MW257.18 g/mol
LogP0.78
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide

1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide (PubChem CID 123184124) has the molecular formula C9H6F3N5O and a molecular weight of 257.18 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
PubChem CID123184124
Molecular FormulaC9H6F3N5O
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6F3N5O/c10-9(11,12)6-3-14-4-7(15-6)17-2-1-5(16-17)8(13)18/h1-4H,(H2,13,18)
InChIKeyRLWHXIVRFAPJRW-UHFFFAOYSA-N
XLogP0.78
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-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 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide (CID 123184124) is 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide?
The InChIKey is RLWHXIVRFAPJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5O/c10-9(11,12)6-3-14-4-7(15-6)17-2-1-5(16-17)8(13)18/h1-4H,(H2,13,18).
What are the key properties of 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide?
1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide has a molecular weight of 257.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 123184124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).