N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide

C24H29N3O5 — CID 46042503

IUPACN-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5/c1-17-22(13-14-23(28)25-15-16-29-2)24(32-21-11-9-20(31-4)10-12-21)27(26-17)18-5-7-19(30-3)8-6-18/h5-12H,13-16H2,1-4H3,(H,25,28)
InChIKeyWFYZSWKFTBDFBZ-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.69
Rot. Bonds11

About N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide

N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide (PubChem CID 46042503) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
PubChem CID46042503
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5/c1-17-22(13-14-23(28)25-15-16-29-2)24(32-21-11-9-20(31-4)10-12-21)27(26-17)18-5-7-19(30-3)8-6-18/h5-12H,13-16H2,1-4H3,(H,25,28)
InChIKeyWFYZSWKFTBDFBZ-UHFFFAOYSA-N
XLogP3.69
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042628
3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 46042535
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93328746
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide (CID 46042503) is N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide is COCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The InChIKey is WFYZSWKFTBDFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-17-22(13-14-23(28)25-15-16-29-2)24(32-21-11-9-20(31-4)10-12-21)27(26-17)18-5-7-19(30-3)8-6-18/h5-12H,13-16H2,1-4H3,(H,25,28).
What are the key properties of N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide has a molecular weight of 439.51 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 46042503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).