2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine

C25H30N2O2 — CID 19859086

IUPAC2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
SMILESCCCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1
InChIInChI=1S/C25H30N2O2/c1-3-5-6-7-20-8-10-21(11-9-20)19-29-25-18-26-24(17-27-25)22-12-14-23(15-13-22)28-16-4-2/h8-15,17-18H,3-7,16,19H2,1-2H3
InChIKeyOYHRPBTWDBKVTN-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.24
Rot. Bonds11

About 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine

2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine (PubChem CID 19859086) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
PubChem CID19859086
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
SMILESCCCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1
InChIInChI=1S/C25H30N2O2/c1-3-5-6-7-20-8-10-21(11-9-20)19-29-25-18-26-24(17-27-25)22-12-14-23(15-13-22)28-16-4-2/h8-15,17-18H,3-7,16,19H2,1-2H3
InChIKeyOYHRPBTWDBKVTN-UHFFFAOYSA-N
XLogP6.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859908
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929
2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 57317122
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
[5-(4-butylphenyl)pyrazin-2-yl] 4-propoxybenzoate
CID 70373500
(4-pentylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate
CID 19859590
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The IUPAC name of 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine (CID 19859086) is 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine.
What is the SMILES notation for 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The canonical SMILES for 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine is CCCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1.
What is the InChIKey of 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The InChIKey is OYHRPBTWDBKVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-5-6-7-20-8-10-21(11-9-20)19-29-25-18-26-24(17-27-25)22-12-14-23(15-13-22)28-16-4-2/h8-15,17-18H,3-7,16,19H2,1-2H3.
What are the key properties of 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine has a molecular weight of 390.53 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine is sourced from PubChem (CID 19859086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).