1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole

C11H10BrClN2O — CID 65326515

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
SMILESCOc1ccc(Br)c(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C11H10BrClN2O/c1-16-10-2-3-11(12)8(4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3
InChIKeyMVDZEIDZLDFXFZ-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.36
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole

1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole (PubChem CID 65326515) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
PubChem CID65326515
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
SMILESCOc1ccc(Br)c(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C11H10BrClN2O/c1-16-10-2-3-11(12)8(4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3
InChIKeyMVDZEIDZLDFXFZ-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 65327267
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 65326686
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65326734
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
1-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 65327077
(E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 19568853
4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
3-[(4-chloropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 3589177
3-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460880
(2-bromo-5-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65326849
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
CID 79785127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole (CID 65326515) is 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole is COc1ccc(Br)c(Cn2cc(Cl)cn2)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole?
The InChIKey is MVDZEIDZLDFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-16-10-2-3-11(12)8(4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole?
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole has a molecular weight of 301.57 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole is sourced from PubChem (CID 65326515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).