3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C18H15F3N4O2 — CID 90636665

IUPAC3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-3-1-12(2-4-13)9-16(26)25-8-5-14(11-25)27-17-15(10-22)23-6-7-24-17/h1-4,6-7,14H,5,8-9,11H2
InChIKeyPFKQGHDNJQKYKA-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.59
Rot. Bonds4

About 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 90636665) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID90636665
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-3-1-12(2-4-13)9-16(26)25-8-5-14(11-25)27-17-15(10-22)23-6-7-24-17/h1-4,6-7,14H,5,8-9,11H2
InChIKeyPFKQGHDNJQKYKA-UHFFFAOYSA-N
XLogP2.59
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(4-nitrophenyl)acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636574
3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755466
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
3-[(3R)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755791
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(2-naphthalen-1-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636576
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045
3-[1-(5-phenylpentanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636668
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90639254
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 90636665) is 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is PFKQGHDNJQKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)13-3-1-12(2-4-13)9-16(26)25-8-5-14(11-25)27-17-15(10-22)23-6-7-24-17/h1-4,6-7,14H,5,8-9,11H2.
What are the key properties of 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 376.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).