3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole

C21H15FN2O — CID 97182242

IUPAC3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C21H15FN2O/c22-17-8-12-20(13-9-17)25-19-10-6-16(7-11-19)21-14-15-24(23-21)18-4-2-1-3-5-18/h1-15H
InChIKeyRPERCFMEGRJFFF-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.47
Rot. Bonds4

About 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole

3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole (PubChem CID 97182242) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole
PubChem CID97182242
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C21H15FN2O/c22-17-8-12-20(13-9-17)25-19-10-6-16(7-11-19)21-14-15-24(23-21)18-4-2-1-3-5-18/h1-15H
InChIKeyRPERCFMEGRJFFF-UHFFFAOYSA-N
XLogP5.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole
CID 135065118
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 174444259
5-[4-[4-[1-(3-fluorophenyl)pyrazol-3-yl]phenoxy]phenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
CID 10196278
1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 142641849
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
1,3-bis(4-bromophenyl)pyrazole
CID 174923540
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 141039468

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole (CID 97182242) is 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole is Fc1ccc(Oc2ccc(-c3ccn(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole?
The InChIKey is RPERCFMEGRJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-17-8-12-20(13-9-17)25-19-10-6-16(7-11-19)21-14-15-24(23-21)18-4-2-1-3-5-18/h1-15H.
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole?
3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole has a molecular weight of 330.36 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole is sourced from PubChem (CID 97182242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).