4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine

C10H9BrFN3O — CID 117460558

IUPAC4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)ccc(Br)c1-c1cn[nH]c1N
InChIInChI=1S/C10H9BrFN3O/c1-16-9-7(12)3-2-6(11)8(9)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyIBILYPWJPUVHIB-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.57
Rot. Bonds2

About 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine

4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117460558) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117460558
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)ccc(Br)c1-c1cn[nH]c1N
InChIInChI=1S/C10H9BrFN3O/c1-16-9-7(12)3-2-6(11)8(9)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyIBILYPWJPUVHIB-UHFFFAOYSA-N
XLogP2.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine (CID 117460558) is 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine is COc1c(F)ccc(Br)c1-c1cn[nH]c1N.
What is the InChIKey of 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is IBILYPWJPUVHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-16-9-7(12)3-2-6(11)8(9)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine?
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 286.10 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117460558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).