5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole

C17H13BrF2N2O — CID 134608125

IUPAC5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1nc(-c2ccc(F)cc2)cc1-c1c(F)cccc1Br
InChIInChI=1S/C17H13BrF2N2O/c1-23-10-22-16(17-13(18)3-2-4-14(17)20)9-15(21-22)11-5-7-12(19)8-6-11/h2-9H,10H2,1H3
InChIKeyFRXYSFJMENBVLQ-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.86
Rot. Bonds4

About 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole

5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole (PubChem CID 134608125) has the molecular formula C17H13BrF2N2O and a molecular weight of 379.20 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
PubChem CID134608125
Molecular FormulaC17H13BrF2N2O
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC Name5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1nc(-c2ccc(F)cc2)cc1-c1c(F)cccc1Br
InChIInChI=1S/C17H13BrF2N2O/c1-23-10-22-16(17-13(18)3-2-4-14(17)20)9-15(21-22)11-5-7-12(19)8-6-11/h2-9H,10H2,1H3
InChIKeyFRXYSFJMENBVLQ-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole (CID 134608125) is 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole is COCn1nc(-c2ccc(F)cc2)cc1-c1c(F)cccc1Br.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The InChIKey is FRXYSFJMENBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O/c1-23-10-22-16(17-13(18)3-2-4-14(17)20)9-15(21-22)11-5-7-12(19)8-6-11/h2-9H,10H2,1H3.
What are the key properties of 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole has a molecular weight of 379.20 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-3-(4-fluorophenyl)-1-(methoxymethyl)pyrazole is sourced from PubChem (CID 134608125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).