2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one

C15H12ClN5O — CID 3998831

IUPAC2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1cccnc1
InChIInChI=1S/C15H12ClN5O/c1-10-14(19-18-12-3-2-8-17-9-12)15(22)21(20-10)13-6-4-11(16)5-7-13/h2-9,20H,1H3/b19-18+
InChIKeyHDBDVNKRGBYKDX-VHEBQXMUSA-N
MW313.75 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one

2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one (PubChem CID 3998831) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one
PubChem CID3998831
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1cccnc1
InChIInChI=1S/C15H12ClN5O/c1-10-14(19-18-12-3-2-8-17-9-12)15(22)21(20-10)13-6-4-11(16)5-7-13/h2-9,20H,1H3/b19-18+
InChIKeyHDBDVNKRGBYKDX-VHEBQXMUSA-N
XLogP3.94
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one (CID 3998831) is 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one is Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one?
The InChIKey is HDBDVNKRGBYKDX-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-14(19-18-12-3-2-8-17-9-12)15(22)21(20-10)13-6-4-11(16)5-7-13/h2-9,20H,1H3/b19-18+.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one?
2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one has a molecular weight of 313.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 3998831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).