4-bromo-1-(3-methoxyphenyl)pyrazole

C10H9BrN2O — CID 66521334

IUPAC4-bromo-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H9BrN2O/c1-14-10-4-2-3-9(5-10)13-7-8(11)6-12-13/h2-7H,1H3
InChIKeyXJWFZVYQZJUUIY-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.64
Rot. Bonds2

About 4-bromo-1-(3-methoxyphenyl)pyrazole

4-bromo-1-(3-methoxyphenyl)pyrazole (PubChem CID 66521334) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-1-(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(3-methoxyphenyl)pyrazole
PubChem CID66521334
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-bromo-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H9BrN2O/c1-14-10-4-2-3-9(5-10)13-7-8(11)6-12-13/h2-7H,1H3
InChIKeyXJWFZVYQZJUUIY-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methoxyphenyl)pyrazole?
The IUPAC name of 4-bromo-1-(3-methoxyphenyl)pyrazole (CID 66521334) is 4-bromo-1-(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(3-methoxyphenyl)pyrazole is COc1cccc(-n2cc(Br)cn2)c1.
What is the InChIKey of 4-bromo-1-(3-methoxyphenyl)pyrazole?
The InChIKey is XJWFZVYQZJUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-10-4-2-3-9(5-10)13-7-8(11)6-12-13/h2-7H,1H3.
What are the key properties of 4-bromo-1-(3-methoxyphenyl)pyrazole?
4-bromo-1-(3-methoxyphenyl)pyrazole has a molecular weight of 253.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 66521334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).