4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine

C16H14BrN5 — CID 4691307

IUPAC4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5/c1-11-15(21-20-14-9-7-12(17)8-10-14)16(22-19-11)18-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,22)/b21-20+
InChIKeyJWQSDKIYYQCSQD-QZQOTICOSA-N
MW356.23 g/mol
LogP5.64
Rot. Bonds4

About 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine

4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine (PubChem CID 4691307) has the molecular formula C16H14BrN5 and a molecular weight of 356.23 g/mol. Its IUPAC name is 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine
PubChem CID4691307
Molecular FormulaC16H14BrN5
Molecular Weight356.23 g/mol
Exact Mass355.04
IUPAC Name4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5/c1-11-15(21-20-14-9-7-12(17)8-10-14)16(22-19-11)18-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,22)/b21-20+
InChIKeyJWQSDKIYYQCSQD-QZQOTICOSA-N
XLogP5.64
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.23
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine (CID 4691307) is 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccccc2)c1/N=N/c1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine?
The InChIKey is JWQSDKIYYQCSQD-QZQOTICOSA-N. The full InChI is InChI=1S/C16H14BrN5/c1-11-15(21-20-14-9-7-12(17)8-10-14)16(22-19-11)18-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,22)/b21-20+.
What are the key properties of 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine?
4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine has a molecular weight of 356.23 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 4691307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).