N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine

C16H15BrN4 — CID 11624319

IUPACN-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C16H15BrN4/c1-21-16(15(17)10-19-21)20-14-7-5-11(6-8-14)12-3-2-4-13(18)9-12/h2-10,20H,18H2,1H3
InChIKeyBQEPDWILKMQKSD-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.18
Rot. Bonds3

About N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine

N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine (PubChem CID 11624319) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine
PubChem CID11624319
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC NameN-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C16H15BrN4/c1-21-16(15(17)10-19-21)20-14-7-5-11(6-8-14)12-3-2-4-13(18)9-12/h2-10,20H,18H2,1H3
InChIKeyBQEPDWILKMQKSD-UHFFFAOYSA-N
XLogP4.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine?
The IUPAC name of N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine (CID 11624319) is N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine.
What is the SMILES notation for N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine?
The canonical SMILES for N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine is Cn1ncc(Br)c1Nc1ccc(-c2cccc(N)c2)cc1.
What is the InChIKey of N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine?
The InChIKey is BQEPDWILKMQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21-16(15(17)10-19-21)20-14-7-5-11(6-8-14)12-3-2-4-13(18)9-12/h2-10,20H,18H2,1H3.
What are the key properties of N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine?
N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine has a molecular weight of 343.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)phenyl]-4-bromo-1-methylpyrazol-5-amine is sourced from PubChem (CID 11624319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).