5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid

C12H13N3O3 — CID 63852192

IUPAC5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCn1cc(COc2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O3/c1-2-15-7-9(4-14-15)8-18-11-3-10(12(16)17)5-13-6-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeySBVYEDKIEAEPID-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.58
Rot. Bonds5

About 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid

5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63852192) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID63852192
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCn1cc(COc2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O3/c1-2-15-7-9(4-14-15)8-18-11-3-10(12(16)17)5-13-6-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeySBVYEDKIEAEPID-UHFFFAOYSA-N
XLogP1.58
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 104795977
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzenecarbothioamide
CID 103567293
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid (CID 63852192) is 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid is CCn1cc(COc2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is SBVYEDKIEAEPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-15-7-9(4-14-15)8-18-11-3-10(12(16)17)5-13-6-11/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid?
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63852192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).