4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

C21H17N7OS — CID 136941905

IUPAC4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H17N7OS/c1-12-18(26-24-16-8-9-17-15(10-16)11-22-25-17)20(29)28(27-12)21-23-19(13(2)30-21)14-6-4-3-5-7-14/h3-11,27H,1-2H3,(H,22,25)/b26-24+
InChIKeyJIKVBPOZOMRFTB-SHHOIMCASA-N
MW415.48 g/mol
LogP5.20
Rot. Bonds4

About 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (PubChem CID 136941905) has the molecular formula C21H17N7OS and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
PubChem CID136941905
Molecular FormulaC21H17N7OS
Molecular Weight415.48 g/mol
Exact Mass415.12
IUPAC Name4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H17N7OS/c1-12-18(26-24-16-8-9-17-15(10-16)11-22-25-17)20(29)28(27-12)21-23-19(13(2)30-21)14-6-4-3-5-7-14/h3-11,27H,1-2H3,(H,22,25)/b26-24+
InChIKeyJIKVBPOZOMRFTB-SHHOIMCASA-N
XLogP5.20
TPSA104.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-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 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (CID 136941905) is 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The InChIKey is JIKVBPOZOMRFTB-SHHOIMCASA-N. The full InChI is InChI=1S/C21H17N7OS/c1-12-18(26-24-16-8-9-17-15(10-16)11-22-25-17)20(29)28(27-12)21-23-19(13(2)30-21)14-6-4-3-5-7-14/h3-11,27H,1-2H3,(H,22,25)/b26-24+.
What are the key properties of 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one has a molecular weight of 415.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yldiazenyl)-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 136941905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).