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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Related Compounds

4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117459290
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721

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).