[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C16H14ClF3N4O — CID 109273671

IUPAC[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)N1CCCC1
InChIInChI=1S/C16H14ClF3N4O/c17-10-3-4-12(11(7-10)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H,22,23)
InChIKeyXEDTZIYICXZCAS-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.13
Rot. Bonds3

About [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273671) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273671
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)N1CCCC1
InChIInChI=1S/C16H14ClF3N4O/c17-10-3-4-12(11(7-10)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H,22,23)
InChIKeyXEDTZIYICXZCAS-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080480
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746

Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273671) is [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)N1CCCC1.
What is the InChIKey of [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XEDTZIYICXZCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c17-10-3-4-12(11(7-10)16(18,19)20)23-14-9-21-13(8-22-14)15(25)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H,22,23).
What are the key properties of [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).