3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine

C17H16BrN3 — CID 83203402

IUPAC3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H16BrN3/c1-11-7-12(2)9-15(8-11)21-10-16(19)17(20-21)13-3-5-14(18)6-4-13/h3-10H,19H2,1-2H3
InChIKeyNDBCBZNBYWENFX-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.50
Rot. Bonds2

About 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine

3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine (PubChem CID 83203402) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
PubChem CID83203402
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H16BrN3/c1-11-7-12(2)9-15(8-11)21-10-16(19)17(20-21)13-3-5-14(18)6-4-13/h3-10H,19H2,1-2H3
InChIKeyNDBCBZNBYWENFX-UHFFFAOYSA-N
XLogP4.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.50
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-(3,5-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine (CID 83203402) is 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine is Cc1cc(C)cc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine?
The InChIKey is NDBCBZNBYWENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11-7-12(2)9-15(8-11)21-10-16(19)17(20-21)13-3-5-14(18)6-4-13/h3-10H,19H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine?
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine has a molecular weight of 342.24 g/mol, XLogP of 4.50, 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-(3,5-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).