[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate

C21H21FN2O2 — CID 42727023

IUPAC[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
SMILESCCCc1cc(OC(=O)c2ccc(CC)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN2O2/c1-3-5-18-14-20(24(23-18)19-12-10-17(22)11-13-19)26-21(25)16-8-6-15(4-2)7-9-16/h6-14H,3-5H2,1-2H3
InChIKeyPCUUKHFRONALNK-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.75
Rot. Bonds6

About [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate

[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate (PubChem CID 42727023) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
PubChem CID42727023
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
SMILESCCCc1cc(OC(=O)c2ccc(CC)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN2O2/c1-3-5-18-14-20(24(23-18)19-12-10-17(22)11-13-19)26-21(25)16-8-6-15(4-2)7-9-16/h6-14H,3-5H2,1-2H3
InChIKeyPCUUKHFRONALNK-UHFFFAOYSA-N
XLogP4.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
CID 42727427
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727021
[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 1061772
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
CID 42726698
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-pentylbenzoate
CID 4538299
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate?
The IUPAC name of [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate (CID 42727023) is [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate.
What is the SMILES notation for [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate?
The canonical SMILES for [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate is CCCc1cc(OC(=O)c2ccc(CC)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate?
The InChIKey is PCUUKHFRONALNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-3-5-18-14-20(24(23-18)19-12-10-17(22)11-13-19)26-21(25)16-8-6-15(4-2)7-9-16/h6-14H,3-5H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate?
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate has a molecular weight of 352.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate is sourced from PubChem (CID 42727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).