4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine

C11H11Br2N3 — CID 2356907

IUPAC4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccc(Br)cc2)c1Br
InChIInChI=1S/C11H11Br2N3/c1-7-10(13)11(16(2)15-7)14-9-5-3-8(12)4-6-9/h3-6,14H,1-2H3
InChIKeyOTGNTNJDQUBUQL-UHFFFAOYSA-N
MW345.04 g/mol
LogP4.00
Rot. Bonds2

About 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine

4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 2356907) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID2356907
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccc(Br)cc2)c1Br
InChIInChI=1S/C11H11Br2N3/c1-7-10(13)11(16(2)15-7)14-9-5-3-8(12)4-6-9/h3-6,14H,1-2H3
InChIKeyOTGNTNJDQUBUQL-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine (CID 2356907) is 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2ccc(Br)cc2)c1Br.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is OTGNTNJDQUBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3/c1-7-10(13)11(16(2)15-7)14-9-5-3-8(12)4-6-9/h3-6,14H,1-2H3.
What are the key properties of 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine?
4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 345.04 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 2356907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).