5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid

C11H10F3N5O2 — CID 122054500

IUPAC5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid
SMILESCn1cc(CNc2cnc(C(=O)O)cn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O2/c1-19-5-6(9(18-19)11(12,13)14)2-16-8-4-15-7(3-17-8)10(20)21/h3-5H,2H2,1H3,(H,16,17)(H,20,21)
InChIKeyKFTRYIYKXKYJOE-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.54
Rot. Bonds4

About 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid

5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054500) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122054500
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid
SMILESCn1cc(CNc2cnc(C(=O)O)cn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O2/c1-19-5-6(9(18-19)11(12,13)14)2-16-8-4-15-7(3-17-8)10(20)21/h3-5H,2H2,1H3,(H,16,17)(H,20,21)
InChIKeyKFTRYIYKXKYJOE-UHFFFAOYSA-N
XLogP1.54
TPSA92.93 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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid (CID 122054500) is 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid is Cn1cc(CNc2cnc(C(=O)O)cn2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is KFTRYIYKXKYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-19-5-6(9(18-19)11(12,13)14)2-16-8-4-15-7(3-17-8)10(20)21/h3-5H,2H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid?
5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 301.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).