3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

C11H11BrFN3O — CID 117482979

IUPAC3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Br)cc(F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C11H11BrFN3O/c1-16-10(14)5-9(15-16)7-3-6(13)4-8(12)11(7)17-2/h3-5H,14H2,1-2H3
InChIKeyVZHIZLKDVYHQAE-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.58
Rot. Bonds2

About 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117482979) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117482979
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Br)cc(F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C11H11BrFN3O/c1-16-10(14)5-9(15-16)7-3-6(13)4-8(12)11(7)17-2/h3-5H,14H2,1-2H3
InChIKeyVZHIZLKDVYHQAE-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine 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

3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117459276
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117482979) is 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is COc1c(Br)cc(F)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is VZHIZLKDVYHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-10(14)5-9(15-16)7-3-6(13)4-8(12)11(7)17-2/h3-5H,14H2,1-2H3.
What are the key properties of 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 300.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117482979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).