pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone

C16H15F3N4O — CID 109273635

IUPACpyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-4-3-5-12(8-11)22-14-10-20-13(9-21-14)15(24)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,21,22)
InChIKeyKEPGGSXRTMKHNA-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.47
Rot. Bonds3

About pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone

pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone (PubChem CID 109273635) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
PubChem CID109273635
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Namepyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-4-3-5-12(8-11)22-14-10-20-13(9-21-14)15(24)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,21,22)
InChIKeyKEPGGSXRTMKHNA-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363719
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
CID 109273685
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone (CID 109273635) is pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone is O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)cn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone?
The InChIKey is KEPGGSXRTMKHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)11-4-3-5-12(8-11)22-14-10-20-13(9-21-14)15(24)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,21,22).
What are the key properties of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone?
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone has a molecular weight of 336.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109273635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).