1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine

C17H16BrN3 — CID 83204218

IUPAC1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-c2nn(-c3ccccc3Br)cc2N)c1
InChIInChI=1S/C17H16BrN3/c1-11-7-12(2)9-13(8-11)17-15(19)10-21(20-17)16-6-4-3-5-14(16)18/h3-10H,19H2,1-2H3
InChIKeyYNTYJDYGHXFLPE-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.50
Rot. Bonds2

About 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine

1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine (PubChem CID 83204218) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
PubChem CID83204218
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-c2nn(-c3ccccc3Br)cc2N)c1
InChIInChI=1S/C17H16BrN3/c1-11-7-12(2)9-13(8-11)17-15(19)10-21(20-17)16-6-4-3-5-14(16)18/h3-10H,19H2,1-2H3
InChIKeyYNTYJDYGHXFLPE-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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Related Compounds

1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204490
1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
CID 83222311
1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
CID 114082882
1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine
CID 83222618
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
CID 83217155
3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83216271
3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83204322
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
CID 83222763
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine (CID 83204218) is 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine is Cc1cc(C)cc(-c2nn(-c3ccccc3Br)cc2N)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The InChIKey is YNTYJDYGHXFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11-7-12(2)9-13(8-11)17-15(19)10-21(20-17)16-6-4-3-5-14(16)18/h3-10H,19H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine?
1-(2-bromophenyl)-3-(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 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83204218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).