1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine

C17H16BrN3 — CID 83203583

IUPAC1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)cc2N)c(C)c1
InChIInChI=1S/C17H16BrN3/c1-11-3-8-15(12(2)9-11)17-16(19)10-21(20-17)14-6-4-13(18)5-7-14/h3-10H,19H2,1-2H3
InChIKeyKHBSHMJEJORMSP-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.50
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine

1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine (PubChem CID 83203583) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
PubChem CID83203583
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)cc2N)c(C)c1
InChIInChI=1S/C17H16BrN3/c1-11-3-8-15(12(2)9-11)17-16(19)10-21(20-17)14-6-4-13(18)5-7-14/h3-10H,19H2,1-2H3
InChIKeyKHBSHMJEJORMSP-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 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine (CID 83203583) is 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2N)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The InChIKey is KHBSHMJEJORMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11-3-8-15(12(2)9-11)17-16(19)10-21(20-17)14-6-4-13(18)5-7-14/h3-10H,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine?
1-(4-bromophenyl)-3-(2,4-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 1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).