1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine

C14H12BrN3O — CID 83223292

IUPAC1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3cccc(Br)c3)cc2N)o1
InChIInChI=1S/C14H12BrN3O/c1-9-5-6-13(19-9)14-12(16)8-18(17-14)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3
InChIKeyMNYGUVYNVHUHCO-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.79
Rot. Bonds2

About 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine

1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine (PubChem CID 83223292) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine
PubChem CID83223292
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3cccc(Br)c3)cc2N)o1
InChIInChI=1S/C14H12BrN3O/c1-9-5-6-13(19-9)14-12(16)8-18(17-14)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3
InChIKeyMNYGUVYNVHUHCO-UHFFFAOYSA-N
XLogP3.79
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine
CID 83223068
1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83204713
1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine
CID 83222758
1-(3-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83204539
3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 104653732
3-(2-bromophenyl)-1-(3-bromophenyl)pyrazol-4-amine
CID 83222386
3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83222297
1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43542683
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 83204612
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine (CID 83223292) is 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3cccc(Br)c3)cc2N)o1.
What is the InChIKey of 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine?
The InChIKey is MNYGUVYNVHUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-5-6-13(19-9)14-12(16)8-18(17-14)11-4-2-3-10(15)7-11/h2-8H,16H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine?
1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine has a molecular weight of 318.17 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83223292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).