1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone

C16H20N2O3 — CID 82003080

IUPAC1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
SMILESCCn1nc(C)cc1COc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-5-18-13(8-11(2)17-18)10-21-16-9-14(20-4)6-7-15(16)12(3)19/h6-9H,5,10H2,1-4H3
InChIKeyYOGXDLSCLUNWCJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone

1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone (PubChem CID 82003080) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
PubChem CID82003080
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
SMILESCCn1nc(C)cc1COc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C16H20N2O3/c1-5-18-13(8-11(2)17-18)10-21-16-9-14(20-4)6-7-15(16)12(3)19/h6-9H,5,10H2,1-4H3
InChIKeyYOGXDLSCLUNWCJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
CID 66554673
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 82003496
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone (CID 82003080) is 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone is CCn1nc(C)cc1COc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone?
The InChIKey is YOGXDLSCLUNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-18-13(8-11(2)17-18)10-21-16-9-14(20-4)6-7-15(16)12(3)19/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone?
1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 82003080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).