methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate

C16H11F3N2O2 — CID 162403646

IUPACmethyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)14-7-6-12-8-20-13(9-21(12)14)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3
InChIKeyZRONSCDNXICARA-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.81
Rot. Bonds2

About methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate

methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate (PubChem CID 162403646) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate
PubChem CID162403646
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Namemethyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)14-7-6-12-8-20-13(9-21(12)14)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3
InChIKeyZRONSCDNXICARA-UHFFFAOYSA-N
XLogP3.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Nbbcc
CID 128618
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-
CID 15957087
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061
Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate
CID 363114
methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795669
2-fluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957533
2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957536
3-(4-Fluorophenyl)-1-methyl-4-(4-pyridinyl)-5-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419781
methyl 2-methyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 15630152

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate (CID 162403646) is methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1ccc2cnc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is ZRONSCDNXICARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-15(22)14-7-6-12-8-20-13(9-21(12)14)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3.
What are the key properties of methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate?
methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 320.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 162403646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).