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

C21H22N2O5 — CID 141435681

IUPAC1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1
InChIInChI=1S/C21H22N2O5/c1-13(24)23-20(14-6-8-16(25-2)9-7-14)17(12-22-23)15-10-18(26-3)21(28-5)19(11-15)27-4/h6-12H,1-5H3
InChIKeyBALZJBKZBKRGAO-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.91
Rot. Bonds6

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

1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (PubChem CID 141435681) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
PubChem CID141435681
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1
InChIInChI=1S/C21H22N2O5/c1-13(24)23-20(14-6-8-16(25-2)9-7-14)17(12-22-23)15-10-18(26-3)21(28-5)19(11-15)27-4/h6-12H,1-5H3
InChIKeyBALZJBKZBKRGAO-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

(3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 899247
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
Tubulin inhibitor 1
CID 137319628
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435682
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695
(NE)-N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6898261
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185578
1-[5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435672
4-(4-Methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435674
1-[5-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435680

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone (CID 141435681) is 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
The InChIKey is BALZJBKZBKRGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13(24)23-20(14-6-8-16(25-2)9-7-14)17(12-22-23)15-10-18(26-3)21(28-5)19(11-15)27-4/h6-12H,1-5H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone?
1-[5-(4-methoxyphenyl)-4-(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-[5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 141435681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).