2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid

C14H16N2O4 — CID 62126311

IUPAC2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
SMILESCCn1cc(COc2cc(OC)ccc2C(=O)O)cn1
InChIInChI=1S/C14H16N2O4/c1-3-16-8-10(7-15-16)9-20-13-6-11(19-2)4-5-12(13)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyMFRKJTONRNKOHN-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.19
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid

2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid (PubChem CID 62126311) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
PubChem CID62126311
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
SMILESCCn1cc(COc2cc(OC)ccc2C(=O)O)cn1
InChIInChI=1S/C14H16N2O4/c1-3-16-8-10(7-15-16)9-20-13-6-11(19-2)4-5-12(13)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyMFRKJTONRNKOHN-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 116540975
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154595
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid (CID 62126311) is 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid is CCn1cc(COc2cc(OC)ccc2C(=O)O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid?
The InChIKey is MFRKJTONRNKOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-16-8-10(7-15-16)9-20-13-6-11(19-2)4-5-12(13)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid?
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid has a molecular weight of 276.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 62126311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).