3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide

C27H26FN3O2 — CID 42850393

IUPAC3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H26FN3O2/c1-3-25-24(16-17-26(32)29-21-9-7-8-20(28)18-21)27(33-23-14-12-19(2)13-15-23)31(30-25)22-10-5-4-6-11-22/h4-15,18H,3,16-17H2,1-2H3,(H,29,32)
InChIKeyGZBZTBIXRSLGGJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP6.25
Rot. Bonds8

About 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide

3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 42850393) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
PubChem CID42850393
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H26FN3O2/c1-3-25-24(16-17-26(32)29-21-9-7-8-20(28)18-21)27(33-23-14-12-19(2)13-15-23)31(30-25)22-10-5-4-6-11-22/h4-15,18H,3,16-17H2,1-2H3,(H,29,32)
InChIKeyGZBZTBIXRSLGGJ-UHFFFAOYSA-N
XLogP6.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 42850467
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
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
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide (CID 42850393) is 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide is CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is GZBZTBIXRSLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-3-25-24(16-17-26(32)29-21-9-7-8-20(28)18-21)27(33-23-14-12-19(2)13-15-23)31(30-25)22-10-5-4-6-11-22/h4-15,18H,3,16-17H2,1-2H3,(H,29,32).
What are the key properties of 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 443.52 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 42850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).