1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole

C28H26ClFN2O3 — CID 11340857

IUPAC1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole
SMILESCOC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1
InChIInChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3
InChIKeyITXUVIRIRIWMQU-UHFFFAOYSA-N
MW492.98 g/mol
LogP6.56
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole

1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole (PubChem CID 11340857) has the molecular formula C28H26ClFN2O3 and a molecular weight of 492.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole
PubChem CID11340857
Molecular FormulaC28H26ClFN2O3
Molecular Weight492.98 g/mol
Exact Mass492.16
IUPAC Name1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole
SMILESCOC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1
InChIInChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3
InChIKeyITXUVIRIRIWMQU-UHFFFAOYSA-N
XLogP6.56
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole 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

Cav 2.2 blocker 1
CID 73292924
3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole
CID 10459826
5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-pyrazole-1-sulfonic acid amide
CID 44378225
2-(2''-(1-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-yl)biphenyl-3-yloxy)acetic acid
CID 49872405
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 73291871
5-(4-Chlorophenyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(2-methoxyphenyl)-1H-pyrazole
CID 73291874
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2S,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 73294550
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 90040082
5-(4-chlorophenyl)-3-[(2S,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 90200902
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole
CID 11156027

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole (CID 11340857) is 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole is COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole?
The InChIKey is ITXUVIRIRIWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole?
1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole has a molecular weight of 492.98 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-5-phenylpyrazole is sourced from PubChem (CID 11340857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).