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

C11H11BrFN3 — CID 117456804

IUPAC3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(Br)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11BrFN3/c1-6-3-7(12)4-8(11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3
InChIKeyCIUNDMALKQGZOD-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.88
Rot. Bonds1

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

3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117456804) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117456804
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(Br)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11BrFN3/c1-6-3-7(12)4-8(11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3
InChIKeyCIUNDMALKQGZOD-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117319254
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
CID 127006262
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine (CID 117456804) is 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine is Cc1cc(Br)cc(-c2cc(N)n(C)n2)c1F.
What is the InChIKey of 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is CIUNDMALKQGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-6-3-7(12)4-8(11(6)13)9-5-10(14)16(2)15-9/h3-5H,14H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine?
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 284.13 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117456804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).