(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C10H11ClF4N4O — CID 126643496

IUPAC(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H10F4N4O.ClH/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14;/h3-6,16H,1-2H2,(H,17,18,19);1H/t5-,6+;/m1./s1
InChIKeyWFDXBVCGDDICJM-IBTYICNHSA-N
MW314.67 g/mol
LogP1.56
Rot. Bonds2

About (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126643496) has the molecular formula C10H11ClF4N4O and a molecular weight of 314.67 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126643496
Molecular FormulaC10H11ClF4N4O
Molecular Weight314.67 g/mol
Exact Mass314.06
IUPAC Name(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H10F4N4O.ClH/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14;/h3-6,16H,1-2H2,(H,17,18,19);1H/t5-,6+;/m1./s1
InChIKeyWFDXBVCGDDICJM-IBTYICNHSA-N
XLogP1.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.67
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118008689
3,3-Difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 118865451
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 118865470
N-[[(2R)-3,3-difluoropyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 118892048
N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 121359350
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623323
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623415
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 126643497
(2S,4R)-N-chloro-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 140318889

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 126643496) is (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WFDXBVCGDDICJM-IBTYICNHSA-N. The full InChI is InChI=1S/C10H10F4N4O.ClH/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14;/h3-6,16H,1-2H2,(H,17,18,19);1H/t5-,6+;/m1./s1.
What are the key properties of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 314.67 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126643496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).