[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate

C18H13Cl2FN2O2 — CID 174625198

IUPAC[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate
SMILESO=COC(Cc1cc(-c2ccc(F)c(Cl)c2)n[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O2/c19-13-3-1-2-12(6-13)18(25-10-24)9-14-8-17(23-22-14)11-4-5-16(21)15(20)7-11/h1-8,10,18H,9H2,(H,22,23)
InChIKeyPILJLVWATSUECW-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.98
Rot. Bonds6

About [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate

[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate (PubChem CID 174625198) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate.

Molecular Properties

Compound Name[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate
PubChem CID174625198
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate
SMILESO=COC(Cc1cc(-c2ccc(F)c(Cl)c2)n[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O2/c19-13-3-1-2-12(6-13)18(25-10-24)9-14-8-17(23-22-14)11-4-5-16(21)15(20)7-11/h1-8,10,18H,9H2,(H,22,23)
InChIKeyPILJLVWATSUECW-UHFFFAOYSA-N
XLogP4.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-(1,3-dioxan-2-yl)-1H-pyrazole
CID 155931745
5-[2-(Benzyloxy)ethyl]-3-(4-fluorophenyl)-1H-pyrazole
CID 67439036
5-(5-chloro-2-methoxyphenyl)-3-(3-fluorophenyl)-1H-pyrazole
CID 89930995
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
CID 118069368
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
CID 144845678
[1-(4-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174578429
[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174604071
[1-(3-chloro-4-fluorophenyl)-2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610660
[1-(3-chlorophenyl)-2-[3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610662
[1-(3-chlorophenyl)-2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610664
[1-(3-chloro-4-fluorophenyl)-2-[3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610667
[2-[3-(3-chloro-5-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-cyanophenyl)ethyl] formate
CID 174610671

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate?
The IUPAC name of [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate (CID 174625198) is [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate.
What is the SMILES notation for [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate?
The canonical SMILES for [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate is O=COC(Cc1cc(-c2ccc(F)c(Cl)c2)n[nH]1)c1cccc(Cl)c1.
What is the InChIKey of [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate?
The InChIKey is PILJLVWATSUECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c19-13-3-1-2-12(6-13)18(25-10-24)9-14-8-17(23-22-14)11-4-5-16(21)15(20)7-11/h1-8,10,18H,9H2,(H,22,23).
What are the key properties of [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate?
[2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate has a molecular weight of 379.22 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-chlorophenyl)ethyl] formate is sourced from PubChem (CID 174625198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).