5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one

C26H23FN2O2 — CID 70322245

IUPAC5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one
SMILESO=C(c1ccccc1-n1cccn1)C(CCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H23FN2O2/c27-21-13-15-22(16-14-21)31-19-6-11-23(20-8-2-1-3-9-20)26(30)24-10-4-5-12-25(24)29-18-7-17-28-29/h1-5,7-10,12-18,23H,6,11,19H2
InChIKeyPZAVWSAETNAFIW-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.84
Rot. Bonds9

About 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one

5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one (PubChem CID 70322245) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one
PubChem CID70322245
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one
SMILESO=C(c1ccccc1-n1cccn1)C(CCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H23FN2O2/c27-21-13-15-22(16-14-21)31-19-6-11-23(20-8-2-1-3-9-20)26(30)24-10-4-5-12-25(24)29-18-7-17-28-29/h1-5,7-10,12-18,23H,6,11,19H2
InChIKeyPZAVWSAETNAFIW-UHFFFAOYSA-N
XLogP5.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one 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-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxyacetic acid
CID 44417467
[3',5'-difluoro-3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxy]acetic acid
CID 44417474
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67608489
3-ethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67615692
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67616695
3-isopropyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 129259202
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2398145
3-(4-fluorophenyl)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 6900126

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one?
The IUPAC name of 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one (CID 70322245) is 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one?
The canonical SMILES for 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one is O=C(c1ccccc1-n1cccn1)C(CCCOc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one?
The InChIKey is PZAVWSAETNAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c27-21-13-15-22(16-14-21)31-19-6-11-23(20-8-2-1-3-9-20)26(30)24-10-4-5-12-25(24)29-18-7-17-28-29/h1-5,7-10,12-18,23H,6,11,19H2.
What are the key properties of 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one?
5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one has a molecular weight of 414.48 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-phenyl-1-(2-pyrazol-1-ylphenyl)pentan-1-one is sourced from PubChem (CID 70322245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).