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

C10H9BrN2O — CID 112693887

IUPAC5-bromo-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2nccc2Br)c1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)13-10(11)5-6-12-13/h2-7H,1H3
InChIKeyAZIAAFHEAWXGBQ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-1-(3-methoxyphenyl)pyrazole

5-bromo-1-(3-methoxyphenyl)pyrazole (PubChem CID 112693887) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-1-(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(3-methoxyphenyl)pyrazole
PubChem CID112693887
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2nccc2Br)c1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)13-10(11)5-6-12-13/h2-7H,1H3
InChIKeyAZIAAFHEAWXGBQ-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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Related Compounds

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5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
4-(bromomethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799005
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-methoxyphenyl)pyrazole?
The IUPAC name of 5-bromo-1-(3-methoxyphenyl)pyrazole (CID 112693887) is 5-bromo-1-(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(3-methoxyphenyl)pyrazole?
The canonical SMILES for 5-bromo-1-(3-methoxyphenyl)pyrazole is COc1cccc(-n2nccc2Br)c1.
What is the InChIKey of 5-bromo-1-(3-methoxyphenyl)pyrazole?
The InChIKey is AZIAAFHEAWXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)13-10(11)5-6-12-13/h2-7H,1H3.
What are the key properties of 5-bromo-1-(3-methoxyphenyl)pyrazole?
5-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 5-bromo-1-(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 112693887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).