1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone

C15H18N2O3 — CID 62127437

IUPAC1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
SMILESCCn1cc(COc2ccc(C(C)=O)cc2OC)cn1
InChIInChI=1S/C15H18N2O3/c1-4-17-9-12(8-16-17)10-20-14-6-5-13(11(2)18)7-15(14)19-3/h5-9H,4,10H2,1-3H3
InChIKeyHKLVJWVQLVJJLK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.69
Rot. Bonds6

About 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone

1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone (PubChem CID 62127437) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
PubChem CID62127437
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
SMILESCCn1cc(COc2ccc(C(C)=O)cc2OC)cn1
InChIInChI=1S/C15H18N2O3/c1-4-17-9-12(8-16-17)10-20-14-6-5-13(11(2)18)7-15(14)19-3/h5-9H,4,10H2,1-3H3
InChIKeyHKLVJWVQLVJJLK-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 116540975
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
(E)-1-(1-ethylpyrazol-4-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543385
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656268

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone (CID 62127437) is 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone is CCn1cc(COc2ccc(C(C)=O)cc2OC)cn1.
What is the InChIKey of 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The InChIKey is HKLVJWVQLVJJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17-9-12(8-16-17)10-20-14-6-5-13(11(2)18)7-15(14)19-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 62127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).