2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine

C16H14BrN3 — CID 867844

IUPAC2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN3/c1-12-11-16(18-14-5-3-2-4-6-14)20(19-12)15-9-7-13(17)8-10-15/h2-11,18H,1H3
InChIKeySZLWGBFNRNZZGW-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine

2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine (PubChem CID 867844) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine
PubChem CID867844
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN3/c1-12-11-16(18-14-5-3-2-4-6-14)20(19-12)15-9-7-13(17)8-10-15/h2-11,18H,1H3
InChIKeySZLWGBFNRNZZGW-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The IUPAC name of 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine (CID 867844) is 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine is Cc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The InChIKey is SZLWGBFNRNZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-12-11-16(18-14-5-3-2-4-6-14)20(19-12)15-9-7-13(17)8-10-15/h2-11,18H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine?
2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine has a molecular weight of 328.21 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methyl-N-phenylpyrazol-3-amine is sourced from PubChem (CID 867844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).