methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate

C11H10F3N5O2 — CID 167853452

IUPACmethyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H10F3N5O2/c1-21-10(20)8-9(16-3-2-15-8)17-5-6-4-7(19-18-6)11(12,13)14/h2-4H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUZQFALWWSGJPP-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.62
Rot. Bonds4

About methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate

methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate (PubChem CID 167853452) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate
PubChem CID167853452
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Namemethyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H10F3N5O2/c1-21-10(20)8-9(16-3-2-15-8)17-5-6-4-7(19-18-6)11(12,13)14/h2-4H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUZQFALWWSGJPP-UHFFFAOYSA-N
XLogP1.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate (CID 167853452) is methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate is COC(=O)c1nccnc1NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate?
The InChIKey is KUZQFALWWSGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-21-10(20)8-9(16-3-2-15-8)17-5-6-4-7(19-18-6)11(12,13)14/h2-4H,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate?
methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate has a molecular weight of 301.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 167853452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).