N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide

C10H8F3N5O — CID 95741389

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)6-18-5-7(3-16-18)17-9(19)8-4-14-1-2-15-8/h1-5H,6H2,(H,17,19)
InChIKeyVOFLTUPVXSECGO-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 95741389) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID95741389
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)6-18-5-7(3-16-18)17-9(19)8-4-14-1-2-15-8/h1-5H,6H2,(H,17,19)
InChIKeyVOFLTUPVXSECGO-UHFFFAOYSA-N
XLogP1.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-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 N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide (CID 95741389) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)c1cnccn1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is VOFLTUPVXSECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)6-18-5-7(3-16-18)17-9(19)8-4-14-1-2-15-8/h1-5H,6H2,(H,17,19).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95741389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).