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

C18H15ClN2O2 — CID 770808

IUPAC[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
SMILESCCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN2O2/c1-2-15-12-17(23-18(22)13-6-4-3-5-7-13)21(20-15)16-10-8-14(19)9-11-16/h3-12H,2H2,1H3
InChIKeyKSTSKODYGGAPPL-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.31
Rot. Bonds4

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

[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate (PubChem CID 770808) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
PubChem CID770808
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
SMILESCCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN2O2/c1-2-15-12-17(23-18(22)13-6-4-3-5-7-13)21(20-15)16-10-8-14(19)9-11-16/h3-12H,2H2,1H3
InChIKeyKSTSKODYGGAPPL-UHFFFAOYSA-N
XLogP4.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.31
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-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
CID 1061709
[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl] 4-methylbenzoate
CID 42657995
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-methylbenzoate
CID 42726686
[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate
CID 1061693
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
CID 42727023
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
CID 42726698
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-bromobenzoate
CID 42727061
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42727344
(3-ethyl-1-phenylpyrazol-5-yl) 2-ethylhexanoate
CID 42726705

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate?
The IUPAC name of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate (CID 770808) is [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate?
The canonical SMILES for [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate is CCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate?
The InChIKey is KSTSKODYGGAPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-15-12-17(23-18(22)13-6-4-3-5-7-13)21(20-15)16-10-8-14(19)9-11-16/h3-12H,2H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate?
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate has a molecular weight of 326.78 g/mol, XLogP of 4.31, 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] benzoate is sourced from PubChem (CID 770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).