3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide

C29H31N3O3 — CID 42850467

IUPAC3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C29H31N3O3/c1-5-27-26(17-18-28(33)30-22-11-9-20(2)10-12-22)29(35-25-8-6-7-21(3)19-25)32(31-27)23-13-15-24(34-4)16-14-23/h6-16,19H,5,17-18H2,1-4H3,(H,30,33)
InChIKeyHHHUJYXWHBBHAE-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.42
Rot. Bonds9

About 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide

3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide (PubChem CID 42850467) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
PubChem CID42850467
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C29H31N3O3/c1-5-27-26(17-18-28(33)30-22-11-9-20(2)10-12-22)29(35-25-8-6-7-21(3)19-25)32(31-27)23-13-15-24(34-4)16-14-23/h6-16,19H,5,17-18H2,1-4H3,(H,30,33)
InChIKeyHHHUJYXWHBBHAE-UHFFFAOYSA-N
XLogP6.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
CID 42850441
N-cyclopropyl-3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 46042373
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide (CID 42850467) is 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is HHHUJYXWHBBHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-27-26(17-18-28(33)30-22-11-9-20(2)10-12-22)29(35-25-8-6-7-21(3)19-25)32(31-27)23-13-15-24(34-4)16-14-23/h6-16,19H,5,17-18H2,1-4H3,(H,30,33).
What are the key properties of 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide?
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 42850467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).