5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine

C16H14ClN5 — CID 3146194

IUPAC5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine
SMILESCc1cccc(/N=N/c2c(N)n[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5/c1-10-3-2-4-13(9-10)19-21-15-14(20-22-16(15)18)11-5-7-12(17)8-6-11/h2-9H,1H3,(H3,18,20,22)/b21-19+
InChIKeyFXUIZJWYJHWRES-XUTLUUPISA-N
MW311.78 g/mol
LogP5.04
Rot. Bonds3

About 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine

5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine (PubChem CID 3146194) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine
PubChem CID3146194
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine
SMILESCc1cccc(/N=N/c2c(N)n[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5/c1-10-3-2-4-13(9-10)19-21-15-14(20-22-16(15)18)11-5-7-12(17)8-6-11/h2-9H,1H3,(H3,18,20,22)/b21-19+
InChIKeyFXUIZJWYJHWRES-XUTLUUPISA-N
XLogP5.04
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.78
LogP ≤ 55.04
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 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine (CID 3146194) is 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine is Cc1cccc(/N=N/c2c(N)n[nH]c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine?
The InChIKey is FXUIZJWYJHWRES-XUTLUUPISA-N. The full InChI is InChI=1S/C16H14ClN5/c1-10-3-2-4-13(9-10)19-21-15-14(20-22-16(15)18)11-5-7-12(17)8-6-11/h2-9H,1H3,(H3,18,20,22)/b21-19+.
What are the key properties of 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine has a molecular weight of 311.78 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[(3-methylphenyl)diazenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 3146194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).