3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole

C13H15BrN2O2 — CID 135124741

IUPAC3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
SMILESCOc1ccc(COCc2cc(Br)nn2C)cc1
InChIInChI=1S/C13H15BrN2O2/c1-16-11(7-13(14)15-16)9-18-8-10-3-5-12(17-2)6-4-10/h3-7H,8-9H2,1-2H3
InChIKeyFWFOCPUPSHNCLW-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.91
Rot. Bonds5

About 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole

3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole (PubChem CID 135124741) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
PubChem CID135124741
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
SMILESCOc1ccc(COCc2cc(Br)nn2C)cc1
InChIInChI=1S/C13H15BrN2O2/c1-16-11(7-13(14)15-16)9-18-8-10-3-5-12(17-2)6-4-10/h3-7H,8-9H2,1-2H3
InChIKeyFWFOCPUPSHNCLW-UHFFFAOYSA-N
XLogP2.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
CID 59548291
(4-methoxyphenyl)methyl hypobromite
CID 166766888
5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine
CID 178070910
5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
CID 163208906
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
CID 141381468
methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 136570895
5-[(4-methoxyphenoxy)methyl]-1-methyl-3-nitropyrazole
CID 71833040
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole?
The IUPAC name of 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole (CID 135124741) is 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole.
What is the SMILES notation for 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole?
The canonical SMILES for 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole is COc1ccc(COCc2cc(Br)nn2C)cc1.
What is the InChIKey of 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole?
The InChIKey is FWFOCPUPSHNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-16-11(7-13(14)15-16)9-18-8-10-3-5-12(17-2)6-4-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole?
3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole has a molecular weight of 311.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole is sourced from PubChem (CID 135124741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).