4-[(3-bromophenoxy)methyl]-1-methylpyrazole

C11H11BrN2O — CID 28782443

IUPAC4-[(3-bromophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2cccc(Br)c2)cn1
InChIInChI=1S/C11H11BrN2O/c1-14-7-9(6-13-14)8-15-11-4-2-3-10(12)5-11/h2-7H,8H2,1H3
InChIKeyLFJIAVAWLPOTTN-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.76
Rot. Bonds3

About 4-[(3-bromophenoxy)methyl]-1-methylpyrazole

4-[(3-bromophenoxy)methyl]-1-methylpyrazole (PubChem CID 28782443) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-1-methylpyrazole
PubChem CID28782443
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-[(3-bromophenoxy)methyl]-1-methylpyrazole
SMILESCn1cc(COc2cccc(Br)c2)cn1
InChIInChI=1S/C11H11BrN2O/c1-14-7-9(6-13-14)8-15-11-4-2-3-10(12)5-11/h2-7H,8H2,1H3
InChIKeyLFJIAVAWLPOTTN-UHFFFAOYSA-N
XLogP2.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-methylpyrazole
CID 62125859
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
1-methyl-4-phenylmethoxypyrazole
CID 84661432

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-1-methylpyrazole (CID 28782443) is 4-[(3-bromophenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-1-methylpyrazole is Cn1cc(COc2cccc(Br)c2)cn1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-1-methylpyrazole?
The InChIKey is LFJIAVAWLPOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-7-9(6-13-14)8-15-11-4-2-3-10(12)5-11/h2-7H,8H2,1H3.
What are the key properties of 4-[(3-bromophenoxy)methyl]-1-methylpyrazole?
4-[(3-bromophenoxy)methyl]-1-methylpyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 28782443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).