4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole

C21H17FN2O — CID 14256924

IUPAC4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2CNN=C2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17FN2O/c22-17-10-6-15(7-11-17)20-14-23-24-21(20)16-8-12-19(13-9-16)25-18-4-2-1-3-5-18/h1-13,20,23H,14H2
InChIKeyFYJICGQLHOHJIZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.71
Rot. Bonds4

About 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole

4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 14256924) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID14256924
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2CNN=C2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17FN2O/c22-17-10-6-15(7-11-17)20-14-23-24-21(20)16-8-12-19(13-9-16)25-18-4-2-1-3-5-18/h1-13,20,23H,14H2
InChIKeyFYJICGQLHOHJIZ-UHFFFAOYSA-N
XLogP4.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 14256924) is 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole is Fc1ccc(C2CNN=C2c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is FYJICGQLHOHJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-10-6-15(7-11-17)20-14-23-24-21(20)16-8-12-19(13-9-16)25-18-4-2-1-3-5-18/h1-13,20,23H,14H2.
What are the key properties of 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole?
4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 332.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 14256924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).