4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine

C11H11BrFN3O — CID 117482951

IUPAC4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(Br)c(F)c1C
InChIInChI=1S/C11H11BrFN3O/c1-5-9(13)8(12)3-6(10(5)17-2)7-4-15-16-11(7)14/h3-4H,1-2H3,(H3,14,15,16)
InChIKeyVMDOIOHSSCUIIL-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.88
Rot. Bonds2

About 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine

4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117482951) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117482951
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(Br)c(F)c1C
InChIInChI=1S/C11H11BrFN3O/c1-5-9(13)8(12)3-6(10(5)17-2)7-4-15-16-11(7)14/h3-4H,1-2H3,(H3,14,15,16)
InChIKeyVMDOIOHSSCUIIL-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine (CID 117482951) is 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine is COc1c(-c2cn[nH]c2N)cc(Br)c(F)c1C.
What is the InChIKey of 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is VMDOIOHSSCUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-5-9(13)8(12)3-6(10(5)17-2)7-4-15-16-11(7)14/h3-4H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine?
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 300.13 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117482951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).