N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

C14H12F3N3O — CID 51091511

IUPACN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)c1cnccn1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-4-2-1-3-10(11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21)
InChIKeyZRHNQHKHABESKV-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.47
Rot. Bonds4

About N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 51091511) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID51091511
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)c1cnccn1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-4-2-1-3-10(11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21)
InChIKeyZRHNQHKHABESKV-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 134047362
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
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CID 14230272
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (CID 51091511) is N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccccc1C(F)(F)F)c1cnccn1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is ZRHNQHKHABESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)11-4-2-1-3-10(11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21).
What are the key properties of N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51091511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).