3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid

C14H14N2O3 — CID 82483342

IUPAC3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2nccnc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-9(2)19-11-5-3-10(4-6-11)12-13(14(17)18)16-8-7-15-12/h3-9H,1-2H3,(H,17,18)
InChIKeyKPHMLBHIGWKMKM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid

3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid (PubChem CID 82483342) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
PubChem CID82483342
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2nccnc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-9(2)19-11-5-3-10(4-6-11)12-13(14(17)18)16-8-7-15-12/h3-9H,1-2H3,(H,17,18)
InChIKeyKPHMLBHIGWKMKM-UHFFFAOYSA-N
XLogP2.63
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
CID 117001852
5-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 84611817
3-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrazine-2,3-dicarboxamide
CID 136529703
butanedioic acid;2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-(4-propan-2-yloxyphenyl)pyrazine
CID 68597617
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952012

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid (CID 82483342) is 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid is CC(C)Oc1ccc(-c2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid?
The InChIKey is KPHMLBHIGWKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(2)19-11-5-3-10(4-6-11)12-13(14(17)18)16-8-7-15-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid?
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82483342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).