3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide

C22H23F2N3O3 — CID 46042321

IUPAC3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-27-22(30-19-10-8-16(23)14-18(19)24)17(9-11-20(28)25-12-13-29-2)21(26-27)15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,25,28)
InChIKeyCCWSKVCUJAUODQ-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.85
Rot. Bonds9

About 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide

3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 46042321) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID46042321
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-27-22(30-19-10-8-16(23)14-18(19)24)17(9-11-20(28)25-12-13-29-2)21(26-27)15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,25,28)
InChIKeyCCWSKVCUJAUODQ-UHFFFAOYSA-N
XLogP3.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide (CID 46042321) is 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F.
What is the InChIKey of 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is CCWSKVCUJAUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-27-22(30-19-10-8-16(23)14-18(19)24)17(9-11-20(28)25-12-13-29-2)21(26-27)15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,25,28).
What are the key properties of 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 415.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 46042321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).