3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide

C17H15ClF3N3O — CID 123946452

IUPAC3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1c1ccc(C(F)(F)F)cc1)c1nccnc1Cl
InChIInChI=1S/C17H15ClF3N3O/c18-15-14(22-8-9-23-15)16(25)24-13-3-1-2-12(13)10-4-6-11(7-5-10)17(19,20)21/h4-9,12-13H,1-3H2,(H,24,25)
InChIKeyGMHJQVGOCLJPMM-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.21
Rot. Bonds3

About 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide

3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide (PubChem CID 123946452) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
PubChem CID123946452
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1c1ccc(C(F)(F)F)cc1)c1nccnc1Cl
InChIInChI=1S/C17H15ClF3N3O/c18-15-14(22-8-9-23-15)16(25)24-13-3-1-2-12(13)10-4-6-11(7-5-10)17(19,20)21/h4-9,12-13H,1-3H2,(H,24,25)
InChIKeyGMHJQVGOCLJPMM-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide
CID 11661679
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 11508087
1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide
CID 166319702
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 25182039
2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090
3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
CID 151388664
2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
CID 125490711
N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
CID 125491431

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide (CID 123946452) is 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide is O=C(NC1CCCC1c1ccc(C(F)(F)F)cc1)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is GMHJQVGOCLJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c18-15-14(22-8-9-23-15)16(25)24-13-3-1-2-12(13)10-4-6-11(7-5-10)17(19,20)21/h4-9,12-13H,1-3H2,(H,24,25).
What are the key properties of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide?
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 123946452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).