N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide

C26H24FN3O2 — CID 163286463

IUPACN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
SMILESCn1cc(-c2ccc(COc3ccc(F)c(NC(=O)CCc4ccccc4)c3)cc2)cn1
InChIInChI=1S/C26H24FN3O2/c1-30-17-22(16-28-30)21-10-7-20(8-11-21)18-32-23-12-13-24(27)25(15-23)29-26(31)14-9-19-5-3-2-4-6-19/h2-8,10-13,15-17H,9,14,18H2,1H3,(H,29,31)
InChIKeyNJZXSPVUCKXPOP-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.38
Rot. Bonds8

About N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide

N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide (PubChem CID 163286463) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
PubChem CID163286463
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
SMILESCn1cc(-c2ccc(COc3ccc(F)c(NC(=O)CCc4ccccc4)c3)cc2)cn1
InChIInChI=1S/C26H24FN3O2/c1-30-17-22(16-28-30)21-10-7-20(8-11-21)18-32-23-12-13-24(27)25(15-23)29-26(31)14-9-19-5-3-2-4-6-19/h2-8,10-13,15-17H,9,14,18H2,1H3,(H,29,31)
InChIKeyNJZXSPVUCKXPOP-UHFFFAOYSA-N
XLogP5.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide 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-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide
CID 163286458
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 175623102
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide (CID 163286463) is N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide is Cn1cc(-c2ccc(COc3ccc(F)c(NC(=O)CCc4ccccc4)c3)cc2)cn1.
What is the InChIKey of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide?
The InChIKey is NJZXSPVUCKXPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-30-17-22(16-28-30)21-10-7-20(8-11-21)18-32-23-12-13-24(27)25(15-23)29-26(31)14-9-19-5-3-2-4-6-19/h2-8,10-13,15-17H,9,14,18H2,1H3,(H,29,31).
What are the key properties of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide?
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide has a molecular weight of 429.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 163286463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).