5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid

C19H19F3N2O2 — CID 146386020

IUPAC5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(CCCc2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-4-12(5-9-14)2-1-3-15(13-6-7-13)16-10-24-17(11-23-16)18(25)26/h4-5,8-11,13,15H,1-3,6-7H2,(H,25,26)
InChIKeyYTYZFDCLDQQRGN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.71
Rot. Bonds7

About 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid

5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid (PubChem CID 146386020) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid
PubChem CID146386020
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(CCCc2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-4-12(5-9-14)2-1-3-15(13-6-7-13)16-10-24-17(11-23-16)18(25)26/h4-5,8-11,13,15H,1-3,6-7H2,(H,25,26)
InChIKeyYTYZFDCLDQQRGN-UHFFFAOYSA-N
XLogP4.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid (CID 146386020) is 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(CCCc2ccc(C(F)(F)F)cc2)C2CC2)cn1.
What is the InChIKey of 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid?
The InChIKey is YTYZFDCLDQQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)14-8-4-12(5-9-14)2-1-3-15(13-6-7-13)16-10-24-17(11-23-16)18(25)26/h4-5,8-11,13,15H,1-3,6-7H2,(H,25,26).
What are the key properties of 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid?
5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid has a molecular weight of 364.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 146386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).