3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide

C11H11F3N6O — CID 171063544

IUPAC3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESCc1c(Nc2nccnc2C(N)=O)cnn1CC(F)(F)F
InChIInChI=1S/C11H11F3N6O/c1-6-7(4-18-20(6)5-11(12,13)14)19-10-8(9(15)21)16-2-3-17-10/h2-4H,5H2,1H3,(H2,15,21)(H,17,19)
InChIKeyNOAVRVPSPXXOLN-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.39
Rot. Bonds4

About 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide

3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide (PubChem CID 171063544) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
PubChem CID171063544
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESCc1c(Nc2nccnc2C(N)=O)cnn1CC(F)(F)F
InChIInChI=1S/C11H11F3N6O/c1-6-7(4-18-20(6)5-11(12,13)14)19-10-8(9(15)21)16-2-3-17-10/h2-4H,5H2,1H3,(H2,15,21)(H,17,19)
InChIKeyNOAVRVPSPXXOLN-UHFFFAOYSA-N
XLogP1.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]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 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide (CID 171063544) is 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide is Cc1c(Nc2nccnc2C(N)=O)cnn1CC(F)(F)F.
What is the InChIKey of 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The InChIKey is NOAVRVPSPXXOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c1-6-7(4-18-20(6)5-11(12,13)14)19-10-8(9(15)21)16-2-3-17-10/h2-4H,5H2,1H3,(H2,15,21)(H,17,19).
What are the key properties of 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide?
3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171063544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).