3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole

C17H14BrFN2O — CID 135132609

IUPAC3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1nc(-c2ccccc2Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O/c1-22-11-21-17(12-6-8-13(19)9-7-12)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11H2,1H3
InChIKeyXMOQRXZHLWRGNY-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.72
Rot. Bonds4

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

3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole (PubChem CID 135132609) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
PubChem CID135132609
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1nc(-c2ccccc2Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O/c1-22-11-21-17(12-6-8-13(19)9-7-12)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11H2,1H3
InChIKeyXMOQRXZHLWRGNY-UHFFFAOYSA-N
XLogP4.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The IUPAC name of 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole (CID 135132609) is 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole.
What is the SMILES notation for 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The canonical SMILES for 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole is COCn1nc(-c2ccccc2Br)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
The InChIKey is XMOQRXZHLWRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-22-11-21-17(12-6-8-13(19)9-7-12)10-16(20-21)14-4-2-3-5-15(14)18/h2-10H,11H2,1H3.
What are the key properties of 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole?
3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole has a molecular weight of 361.21 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-(4-fluorophenyl)-1-(methoxymethyl)pyrazole is sourced from PubChem (CID 135132609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).