4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole

C11H11BrN2O — CID 61028949

IUPAC4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN2O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7H2,1H3
InChIKeyAOQZOMGVKJIUBN-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole

4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 61028949) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID61028949
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN2O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7H2,1H3
InChIKeyAOQZOMGVKJIUBN-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole (CID 61028949) is 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is AOQZOMGVKJIUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7H2,1H3.
What are the key properties of 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 61028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).