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

C27H26FN3O3 — CID 46295867

IUPAC3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C27H26FN3O3/c1-33-23-13-14-25(34-2)24(16-23)27-20(18-31(30-27)22-6-4-3-5-7-22)10-15-26(32)29-17-19-8-11-21(28)12-9-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,29,32)
InChIKeyHYBLAFKPMKOSEB-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.94
Rot. Bonds9

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

3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 46295867) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID46295867
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C27H26FN3O3/c1-33-23-13-14-25(34-2)24(16-23)27-20(18-31(30-27)22-6-4-3-5-7-22)10-15-26(32)29-17-19-8-11-21(28)12-9-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,29,32)
InChIKeyHYBLAFKPMKOSEB-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]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-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46295877
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295856
3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46295934
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504128
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 55753924
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 46295867) is 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is HYBLAFKPMKOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-33-23-13-14-25(34-2)24(16-23)27-20(18-31(30-27)22-6-4-3-5-7-22)10-15-26(32)29-17-19-8-11-21(28)12-9-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,29,32).
What are the key properties of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 459.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 46295867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).