4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine

C17H16ClN5 — CID 135505341

IUPAC4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2/N=N/c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H16ClN5/c1-10-6-8-12(9-7-10)15-16(17(19)23-21-15)22-20-14-5-3-4-13(18)11(14)2/h3-9H,1-2H3,(H3,19,21,23)/b22-20+
InChIKeyMZEPJOYPJMJTRQ-LSDHQDQOSA-N
MW325.80 g/mol
LogP5.34
Rot. Bonds3

About 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine

4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 135505341) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID135505341
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2/N=N/c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H16ClN5/c1-10-6-8-12(9-7-10)15-16(17(19)23-21-15)22-20-14-5-3-4-13(18)11(14)2/h3-9H,1-2H3,(H3,19,21,23)/b22-20+
InChIKeyMZEPJOYPJMJTRQ-LSDHQDQOSA-N
XLogP5.34
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.34
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-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine (CID 135505341) is 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2/N=N/c2cccc(Cl)c2C)cc1.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is MZEPJOYPJMJTRQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-10-6-8-12(9-7-10)15-16(17(19)23-21-15)22-20-14-5-3-4-13(18)11(14)2/h3-9H,1-2H3,(H3,19,21,23)/b22-20+.
What are the key properties of 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine?
4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 325.80 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 135505341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).