[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate

C18H14ClFN2O2 — CID 42727427

IUPAC[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
SMILESCCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClFN2O2/c1-2-15-11-17(22(21-15)16-9-5-13(19)6-10-16)24-18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3
InChIKeyIVDQFEOAOKMRJN-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.45
Rot. Bonds4

About [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate

[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate (PubChem CID 42727427) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
PubChem CID42727427
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
SMILESCCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClFN2O2/c1-2-15-11-17(22(21-15)16-9-5-13(19)6-10-16)24-18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3
InChIKeyIVDQFEOAOKMRJN-UHFFFAOYSA-N
XLogP4.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
CID 42727023
[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl] 4-methylbenzoate
CID 42657995
5-chloro-3-ethyl-1-(4-fluorophenyl)pyrazole
CID 66021561
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-fluorobenzoate
CID 42727058
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727021
[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
CID 1061709
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
CID 121015739
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727847

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate?
The IUPAC name of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate (CID 42727427) is [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate?
The canonical SMILES for [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate is CCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate?
The InChIKey is IVDQFEOAOKMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-2-15-11-17(22(21-15)16-9-5-13(19)6-10-16)24-18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate?
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate has a molecular weight of 344.77 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate is sourced from PubChem (CID 42727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).