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

C10H9ClF3N3O — CID 114271810

IUPAC(5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cn1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H9ClF3N3O/c11-8-4-15-7(3-16-8)9(18)17-2-1-6(5-17)10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyAHKULHKPGVTJKI-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.15
Rot. Bonds1

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

(5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 114271810) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID114271810
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name(5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cn1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H9ClF3N3O/c11-8-4-15-7(3-16-8)9(18)17-2-1-6(5-17)10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyAHKULHKPGVTJKI-UHFFFAOYSA-N
XLogP2.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 28064785
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine
CID 28064962
2-Chloro-6-((4-methyl-1-piperazinyl)carbonyl)pyrazine
CID 28064966
5-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 59000470
(Azetidin-1-yl)(5-chloropyrazin-2-yl)methanone
CID 46870328
CID 59369587
CID 59369587
N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 68202584
N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 68202585
5-chloro-N-[(1R)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide
CID 86675753
5-chloro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide
CID 86675754
5-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
CID 86675755
5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
CID 86675756

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 114271810) is (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cnc(Cl)cn1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AHKULHKPGVTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c11-8-4-15-7(3-16-8)9(18)17-2-1-6(5-17)10(12,13)14/h3-4,6H,1-2,5H2.
What are the key properties of (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 279.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114271810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).