[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate

C22H14ClFN2O2 — CID 1061617

IUPAC[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
SMILESO=C(Oc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C22H14ClFN2O2/c23-17-11-5-7-13-20(17)26-21(14-19(25-26)15-8-2-1-3-9-15)28-22(27)16-10-4-6-12-18(16)24/h1-14H
InChIKeyDGCZYBQAZXJBMK-UHFFFAOYSA-N
MW392.82 g/mol
LogP5.55
Rot. Bonds4

About [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate

[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate (PubChem CID 1061617) has the molecular formula C22H14ClFN2O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
PubChem CID1061617
Molecular FormulaC22H14ClFN2O2
Molecular Weight392.82 g/mol
Exact Mass392.07
IUPAC Name[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
SMILESO=C(Oc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C22H14ClFN2O2/c23-17-11-5-7-13-20(17)26-21(14-19(25-26)15-8-2-1-3-9-15)28-22(27)16-10-4-6-12-18(16)24/h1-14H
InChIKeyDGCZYBQAZXJBMK-UHFFFAOYSA-N
XLogP5.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate?
The IUPAC name of [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate (CID 1061617) is [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate.
What is the SMILES notation for [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate?
The canonical SMILES for [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate is O=C(Oc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate?
The InChIKey is DGCZYBQAZXJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O2/c23-17-11-5-7-13-20(17)26-21(14-19(25-26)15-8-2-1-3-9-15)28-22(27)16-10-4-6-12-18(16)24/h1-14H.
What are the key properties of [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate?
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate has a molecular weight of 392.82 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate is sourced from PubChem (CID 1061617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).