5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

C17H16F3N3O2 — CID 68800932

IUPAC5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCN(CC1CC1)c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-23(9-10-2-3-10)15-14(22-13(8-21-15)16(24)25)11-4-6-12(7-5-11)17(18,19)20/h4-8,10H,2-3,9H2,1H3,(H,24,25)
InChIKeySOYVHEARNOYELJ-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.71
Rot. Bonds5

About 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68800932) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID68800932
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCN(CC1CC1)c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-23(9-10-2-3-10)15-14(22-13(8-21-15)16(24)25)11-4-6-12(7-5-11)17(18,19)20/h4-8,10H,2-3,9H2,1H3,(H,24,25)
InChIKeySOYVHEARNOYELJ-UHFFFAOYSA-N
XLogP3.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (CID 68800932) is 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is CN(CC1CC1)c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is SOYVHEARNOYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-23(9-10-2-3-10)15-14(22-13(8-21-15)16(24)25)11-4-6-12(7-5-11)17(18,19)20/h4-8,10H,2-3,9H2,1H3,(H,24,25).
What are the key properties of 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 351.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68800932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).