1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone

C21H22N2O5 — CID 141435705

IUPAC1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCOc1cccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H22N2O5/c1-13(24)23-20(15-10-18(26-3)21(28-5)19(11-15)27-4)17(12-22-23)14-7-6-8-16(9-14)25-2/h6-12H,1-5H3
InChIKeyWNOWNZWQXATUDH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.91
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone

1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (PubChem CID 141435705) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
PubChem CID141435705
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCOc1cccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H22N2O5/c1-13(24)23-20(15-10-18(26-3)21(28-5)19(11-15)27-4)17(12-22-23)14-7-6-8-16(9-14)25-2/h6-12H,1-5H3
InChIKeyWNOWNZWQXATUDH-UHFFFAOYSA-N
XLogP3.91
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435693
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503966
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone
CID 127026628
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
5-(3-methoxyphenyl)-1-methylpyrazol-4-ol
CID 105456123
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (CID 141435705) is 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is COc1cccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The InChIKey is WNOWNZWQXATUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13(24)23-20(15-10-18(26-3)21(28-5)19(11-15)27-4)17(12-22-23)14-7-6-8-16(9-14)25-2/h6-12H,1-5H3.
What are the key properties of 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone has a molecular weight of 382.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 141435705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).