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

C16H14F3N3O2 — CID 68802694

IUPAC5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCN(c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C16H14F3N3O2/c1-22(11-6-7-11)14-13(21-12(8-20-14)15(23)24)9-2-4-10(5-3-9)16(17,18)19/h2-5,8,11H,6-7H2,1H3,(H,23,24)
InChIKeyBONZWCMGKMJDMC-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.46
Rot. Bonds4

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

5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68802694) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID68802694
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCN(c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C16H14F3N3O2/c1-22(11-6-7-11)14-13(21-12(8-20-14)15(23)24)9-2-4-10(5-3-9)16(17,18)19/h2-5,8,11H,6-7H2,1H3,(H,23,24)
InChIKeyBONZWCMGKMJDMC-UHFFFAOYSA-N
XLogP3.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (CID 68802694) is 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is CN(c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is BONZWCMGKMJDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-22(11-6-7-11)14-13(21-12(8-20-14)15(23)24)9-2-4-10(5-3-9)16(17,18)19/h2-5,8,11H,6-7H2,1H3,(H,23,24).
What are the key properties of 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 337.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(methyl)amino]-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68802694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).