methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate

C15H15ClF3N5O2 — CID 175533899

IUPACmethyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C(F)C(F)F)nc1C
InChIInChI=1S/C15H15ClF3N5O2/c1-6-8(5-24(23-6)13(19)12(17)18)20-14-10(15(25)26-2)21-11(16)9(22-14)7-3-4-7/h5,7,12-13H,3-4H2,1-2H3,(H,20,22)
InChIKeyJGVBHEOSMMXPSO-UHFFFAOYSA-N
MW389.77 g/mol
LogP3.78
Rot. Bonds6

About methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate

methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate (PubChem CID 175533899) has the molecular formula C15H15ClF3N5O2 and a molecular weight of 389.77 g/mol. Its IUPAC name is methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
PubChem CID175533899
Molecular FormulaC15H15ClF3N5O2
Molecular Weight389.77 g/mol
Exact Mass389.09
IUPAC Namemethyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C(F)C(F)F)nc1C
InChIInChI=1S/C15H15ClF3N5O2/c1-6-8(5-24(23-6)13(19)12(17)18)20-14-10(15(25)26-2)21-11(16)9(22-14)7-3-4-7/h5,7,12-13H,3-4H2,1-2H3,(H,20,22)
InChIKeyJGVBHEOSMMXPSO-UHFFFAOYSA-N
XLogP3.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate 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 methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate (CID 175533899) is methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(C(F)C(F)F)nc1C.
What is the InChIKey of methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The InChIKey is JGVBHEOSMMXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O2/c1-6-8(5-24(23-6)13(19)12(17)18)20-14-10(15(25)26-2)21-11(16)9(22-14)7-3-4-7/h5,7,12-13H,3-4H2,1-2H3,(H,20,22).
What are the key properties of methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate has a molecular weight of 389.77 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-cyclopropyl-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 175533899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).