3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide

C26H33N3O4 — CID 42850441

IUPAC3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(OC)c2)c1CCC(=O)NCC(C)C
InChIInChI=1S/C26H33N3O4/c1-6-24-23(14-15-25(30)27-17-18(2)3)26(33-22-9-7-8-21(16-22)32-5)29(28-24)19-10-12-20(31-4)13-11-19/h7-13,16,18H,6,14-15,17H2,1-5H3,(H,27,30)
InChIKeyUNHFMAJEKGTKSV-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.95
Rot. Bonds11

About 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide

3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide (PubChem CID 42850441) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
PubChem CID42850441
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(OC)c2)c1CCC(=O)NCC(C)C
InChIInChI=1S/C26H33N3O4/c1-6-24-23(14-15-25(30)27-17-18(2)3)26(33-22-9-7-8-21(16-22)32-5)29(28-24)19-10-12-20(31-4)13-11-19/h7-13,16,18H,6,14-15,17H2,1-5H3,(H,27,30)
InChIKeyUNHFMAJEKGTKSV-UHFFFAOYSA-N
XLogP4.95
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 42850467
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471
3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-(3,5-dimethoxyphenyl)-N,N-dimethyl-2-[4-[3-methyl-4-[3-(2-methylpropylamino)-3-oxopropyl]-1-phenylpyrazol-5-yl]oxyphenyl]prop-2-enamide
CID 3462786
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42850417
N-cyclopropyl-3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 46042373
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide (CID 42850441) is 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(OC)c2)c1CCC(=O)NCC(C)C.
What is the InChIKey of 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is UNHFMAJEKGTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-6-24-23(14-15-25(30)27-17-18(2)3)26(33-22-9-7-8-21(16-22)32-5)29(28-24)19-10-12-20(31-4)13-11-19/h7-13,16,18H,6,14-15,17H2,1-5H3,(H,27,30).
What are the key properties of 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 451.57 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 42850441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).