5-bromo-4-(2-methoxyphenyl)-1H-pyrazole

C10H9BrN2O — CID 84707753

IUPAC5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cn[nH]c1Br
InChIInChI=1S/C10H9BrN2O/c1-14-9-5-3-2-4-7(9)8-6-12-13-10(8)11/h2-6H,1H3,(H,12,13)
InChIKeyNXAXCGMUCSVYKY-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole

5-bromo-4-(2-methoxyphenyl)-1H-pyrazole (PubChem CID 84707753) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
PubChem CID84707753
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cn[nH]c1Br
InChIInChI=1S/C10H9BrN2O/c1-14-9-5-3-2-4-7(9)8-6-12-13-10(8)11/h2-6H,1H3,(H,12,13)
InChIKeyNXAXCGMUCSVYKY-UHFFFAOYSA-N
XLogP2.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 105423244
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294
7,8-bis(2-methoxyphenyl)-3H-pyrazolo[5,4-c]cinnoline
CID 90040214
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826092
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole (CID 84707753) is 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole is COc1ccccc1-c1cn[nH]c1Br.
What is the InChIKey of 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole?
The InChIKey is NXAXCGMUCSVYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-9-5-3-2-4-7(9)8-6-12-13-10(8)11/h2-6H,1H3,(H,12,13).
What are the key properties of 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole?
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole has a molecular weight of 253.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 84707753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).