4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid

C15H15N3O3 — CID 45031060

IUPAC4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccc(Oc2nccnc2N2CCCC2)cc1
InChIInChI=1S/C15H15N3O3/c19-15(20)11-3-5-12(6-4-11)21-14-13(16-7-8-17-14)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,19,20)
InChIKeyIEXIMTVTQGHCNA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.57
Rot. Bonds4

About 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid

4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid (PubChem CID 45031060) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
PubChem CID45031060
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccc(Oc2nccnc2N2CCCC2)cc1
InChIInChI=1S/C15H15N3O3/c19-15(20)11-3-5-12(6-4-11)21-14-13(16-7-8-17-14)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,19,20)
InChIKeyIEXIMTVTQGHCNA-UHFFFAOYSA-N
XLogP2.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
CID 53335593
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
4-(3-morpholin-4-ylpyrazin-2-yl)oxy-N-phenylbenzamide
CID 53335632
N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335650
N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335611
tert-butyl 4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperazine-1-carboxylate
CID 58247494
1H-benzimidazol-2-yl-[4-[3-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214
1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate
CID 143998256
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid (CID 45031060) is 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid is O=C(O)c1ccc(Oc2nccnc2N2CCCC2)cc1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid?
The InChIKey is IEXIMTVTQGHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(20)11-3-5-12(6-4-11)21-14-13(16-7-8-17-14)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,19,20).
What are the key properties of 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid?
4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 45031060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).