[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate

C24H19FN2O2 — CID 42726844

IUPAC[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C24H19FN2O2/c1-16-7-6-10-22(17(16)2)27-23(15-21(26-27)18-8-4-3-5-9-18)29-24(28)19-11-13-20(25)14-12-19/h3-15H,1-2H3
InChIKeyMOGBKEHHUMYDFT-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.51
Rot. Bonds4

About [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate

[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate (PubChem CID 42726844) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
PubChem CID42726844
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C24H19FN2O2/c1-16-7-6-10-22(17(16)2)27-23(15-21(26-27)18-8-4-3-5-9-18)29-24(28)19-11-13-20(25)14-12-19/h3-15H,1-2H3
InChIKeyMOGBKEHHUMYDFT-UHFFFAOYSA-N
XLogP5.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727351
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-bromobenzoate
CID 42727334
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-fluorobenzoate
CID 1061718
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42727332
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 42726997
[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42726908
[2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-fluorobenzoate
CID 42727250
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
CID 1061617
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate?
The IUPAC name of [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate (CID 42726844) is [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate?
The canonical SMILES for [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate is Cc1cccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate?
The InChIKey is MOGBKEHHUMYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-16-7-6-10-22(17(16)2)27-23(15-21(26-27)18-8-4-3-5-9-18)29-24(28)19-11-13-20(25)14-12-19/h3-15H,1-2H3.
What are the key properties of [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate?
[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate has a molecular weight of 386.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate is sourced from PubChem (CID 42726844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).