[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate

C19H17FN2O2 — CID 42727968

IUPAC[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
SMILESCCCc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O2/c1-2-7-16-13-18(24-19(23)14-8-4-3-5-9-14)22(21-16)17-11-6-10-15(20)12-17/h3-6,8-13H,2,7H2,1H3
InChIKeyPTNGMHZCAFZVOT-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.18
Rot. Bonds5

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

[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate (PubChem CID 42727968) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
PubChem CID42727968
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
SMILESCCCc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O2/c1-2-7-16-13-18(24-19(23)14-8-4-3-5-9-14)22(21-16)17-11-6-10-15(20)12-17/h3-6,8-13H,2,7H2,1H3
InChIKeyPTNGMHZCAFZVOT-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
CID 42727023
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 3-chloro-2,2-dimethylpropanoate
CID 89364818
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-fluorobenzoate
CID 42727058
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-pentylbenzoate
CID 4538299
[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] 4-tert-butylbenzoate
CID 1061852
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
CID 42726698
[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
CID 1061709
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[1-(3,4-dichlorophenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42728247
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-fluorobenzoate
CID 1061718

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate?
The IUPAC name of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate (CID 42727968) is [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate.
What is the SMILES notation for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate?
The canonical SMILES for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate is CCCc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1.
What is the InChIKey of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate?
The InChIKey is PTNGMHZCAFZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-7-16-13-18(24-19(23)14-8-4-3-5-9-14)22(21-16)17-11-6-10-15(20)12-17/h3-6,8-13H,2,7H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate?
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate has a molecular weight of 324.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate is sourced from PubChem (CID 42727968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).