3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine

C16H13BrFN3 — CID 83205205

IUPAC3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3cc(Br)ccc3F)n2)cc1
InChIInChI=1S/C16H13BrFN3/c1-10-2-5-12(6-3-10)21-9-15(19)16(20-21)13-8-11(17)4-7-14(13)18/h2-9H,19H2,1H3
InChIKeyINUNYFGDJXRBIO-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.33
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine

3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine (PubChem CID 83205205) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
PubChem CID83205205
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3cc(Br)ccc3F)n2)cc1
InChIInChI=1S/C16H13BrFN3/c1-10-2-5-12(6-3-10)21-9-15(19)16(20-21)13-8-11(17)4-7-14(13)18/h2-9H,19H2,1H3
InChIKeyINUNYFGDJXRBIO-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine (CID 83205205) is 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine is Cc1ccc(-n2cc(N)c(-c3cc(Br)ccc3F)n2)cc1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The InChIKey is INUNYFGDJXRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-10-2-5-12(6-3-10)21-9-15(19)16(20-21)13-8-11(17)4-7-14(13)18/h2-9H,19H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine has a molecular weight of 346.20 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83205205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).