2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid

C18H20N2O2 — CID 69054880

IUPAC2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cnccn3)cc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(22)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-12-19-9-10-20-17/h5-10,12-14H,1-4,11H2,(H,21,22)
InChIKeyXGWHFKXRCCXFHL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid

2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid (PubChem CID 69054880) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
PubChem CID69054880
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cnccn3)cc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(22)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-12-19-9-10-20-17/h5-10,12-14H,1-4,11H2,(H,21,22)
InChIKeyXGWHFKXRCCXFHL-UHFFFAOYSA-N
XLogP3.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid (CID 69054880) is 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3cnccn3)cc2)CC1.
What is the InChIKey of 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid?
The InChIKey is XGWHFKXRCCXFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(22)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-12-19-9-10-20-17/h5-10,12-14H,1-4,11H2,(H,21,22).
What are the key properties of 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid?
2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 69054880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).