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

C22H24N2O5 — CID 141435702

IUPAC1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCCOc1ccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-6-29-17-9-7-15(8-10-17)18-13-23-24(14(2)25)21(18)16-11-19(26-3)22(28-5)20(12-16)27-4/h7-13H,6H2,1-5H3
InChIKeyOQDZZSWXCAAEAA-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.30
Rot. Bonds7

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

1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (PubChem CID 141435702) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
PubChem CID141435702
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCCOc1ccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-6-29-17-9-7-15(8-10-17)18-13-23-24(14(2)25)21(18)16-11-19(26-3)22(28-5)20(12-16)27-4/h7-13H,6H2,1-5H3
InChIKeyOQDZZSWXCAAEAA-UHFFFAOYSA-N
XLogP4.30
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (CID 141435702) is 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is CCOc1ccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The InChIKey is OQDZZSWXCAAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-6-29-17-9-7-15(8-10-17)18-13-23-24(14(2)25)21(18)16-11-19(26-3)22(28-5)20(12-16)27-4/h7-13H,6H2,1-5H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone has a molecular weight of 396.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 141435702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).