2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine

C21H19N3O3 — CID 126529968

IUPAC2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2C2CC2)cc1
InChIInChI=1S/C21H19N3O3/c25-24(26)18-9-7-17(8-10-18)20-21(23-13-12-22-20)27-14-11-15-3-1-2-4-19(15)16-5-6-16/h1-4,7-10,12-13,16H,5-6,11,14H2
InChIKeyFSJCQILSGCTTCV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.55
Rot. Bonds7

About 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine

2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine (PubChem CID 126529968) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
PubChem CID126529968
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2C2CC2)cc1
InChIInChI=1S/C21H19N3O3/c25-24(26)18-9-7-17(8-10-18)20-21(23-13-12-22-20)27-14-11-15-3-1-2-4-19(15)16-5-6-16/h1-4,7-10,12-13,16H,5-6,11,14H2
InChIKeyFSJCQILSGCTTCV-UHFFFAOYSA-N
XLogP4.55
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine (CID 126529968) is 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine is O=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2C2CC2)cc1.
What is the InChIKey of 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The InChIKey is FSJCQILSGCTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-24(26)18-9-7-17(8-10-18)20-21(23-13-12-22-20)27-14-11-15-3-1-2-4-19(15)16-5-6-16/h1-4,7-10,12-13,16H,5-6,11,14H2.
What are the key properties of 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine has a molecular weight of 361.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 126529968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).