1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone

C24H27N3O5 — CID 58432015

IUPAC1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
SMILESCOc1ccc(-c2ccn(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)n2)cc1OC
InChIInChI=1S/C24H27N3O5/c1-29-21-9-6-18(16-22(21)30-2)20-10-11-27(25-20)24(28)23(31-3)17-4-7-19(8-5-17)26-12-14-32-15-13-26/h4-11,16,23H,12-15H2,1-3H3
InChIKeySUHMIXFRBNCNGF-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.43
Rot. Bonds7

About 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone

1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 58432015) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
PubChem CID58432015
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
SMILESCOc1ccc(-c2ccn(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)n2)cc1OC
InChIInChI=1S/C24H27N3O5/c1-29-21-9-6-18(16-22(21)30-2)20-10-11-27(25-20)24(28)23(31-3)17-4-7-19(8-5-17)26-12-14-32-15-13-26/h4-11,16,23H,12-15H2,1-3H3
InChIKeySUHMIXFRBNCNGF-UHFFFAOYSA-N
XLogP3.43
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(4-bromo-3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 58432139
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
1-[5-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 168719887
4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane
CID 161020432
N-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methoxy-2-(4-morpholin-4-ylphenyl)acetamide
CID 59185876
4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
CID 86342380
N-[[4-(4-bromo-3,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2-methoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 163628491
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 92628541
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone (CID 58432015) is 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone is COc1ccc(-c2ccn(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)n2)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is SUHMIXFRBNCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-29-21-9-6-18(16-22(21)30-2)20-10-11-27(25-20)24(28)23(31-3)17-4-7-19(8-5-17)26-12-14-32-15-13-26/h4-11,16,23H,12-15H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?
1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 437.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 58432015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).