3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine

C16H14BrN3 — CID 83217202

IUPAC3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3/c1-11-2-8-14(9-3-11)20-10-15(18)16(19-20)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3
InChIKeyOZCXGKSDIRZCIV-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

About 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine

3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine (PubChem CID 83217202) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
PubChem CID83217202
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3/c1-11-2-8-14(9-3-11)20-10-15(18)16(19-20)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3
InChIKeyOZCXGKSDIRZCIV-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine (CID 83217202) is 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine is Cc1ccc(-n2cc(N)c(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
The InChIKey is OZCXGKSDIRZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-2-8-14(9-3-11)20-10-15(18)16(19-20)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine?
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83217202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).