5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine

C15H12BrN3 — CID 59989199

IUPAC5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine
SMILESBrc1ccc(-c2cc(Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12BrN3/c16-12-8-6-11(7-9-12)14-10-15(19-18-14)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyYBYVJJKIMPYPRX-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.58
Rot. Bonds3

About 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine

5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine (PubChem CID 59989199) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine
PubChem CID59989199
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine
SMILESBrc1ccc(-c2cc(Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12BrN3/c16-12-8-6-11(7-9-12)14-10-15(19-18-14)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyYBYVJJKIMPYPRX-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine (CID 59989199) is 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine is Brc1ccc(-c2cc(Nc3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine?
The InChIKey is YBYVJJKIMPYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-12-8-6-11(7-9-12)14-10-15(19-18-14)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19).
What are the key properties of 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine?
5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine has a molecular weight of 314.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 59989199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).