5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole

C15H18BrClN2O2 — CID 104666436

IUPAC5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1COc1c(CBr)cc(Cl)cc1OC
InChIInChI=1S/C15H18BrClN2O2/c1-4-19-13(5-10(2)18-19)9-21-15-11(8-16)6-12(17)7-14(15)20-3/h5-7H,4,8-9H2,1-3H3
InChIKeyFXHQJOWDMGNVLH-UHFFFAOYSA-N
MW373.68 g/mol
LogP4.35
Rot. Bonds6

About 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole

5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole (PubChem CID 104666436) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole
PubChem CID104666436
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1COc1c(CBr)cc(Cl)cc1OC
InChIInChI=1S/C15H18BrClN2O2/c1-4-19-13(5-10(2)18-19)9-21-15-11(8-16)6-12(17)7-14(15)20-3/h5-7H,4,8-9H2,1-3H3
InChIKeyFXHQJOWDMGNVLH-UHFFFAOYSA-N
XLogP4.35
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-methyl-1,2,4-triazole
CID 113438882
1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868
5-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethyl-1,2,4-triazole
CID 104666337
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392
1-(bromomethyl)-5-chloro-2-(3-ethylsulfonylpropoxy)-3-methoxybenzene
CID 104666435
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415
N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952967
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664220

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole (CID 104666436) is 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)cc1COc1c(CBr)cc(Cl)cc1OC.
What is the InChIKey of 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is FXHQJOWDMGNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-4-19-13(5-10(2)18-19)9-21-15-11(8-16)6-12(17)7-14(15)20-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole?
5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole has a molecular weight of 373.68 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 104666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).