2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide

C18H16N10O — CID 135983793

IUPAC2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1c(/N=N/c2c(-c3ccccc3)nn(C)c2N)nc(C#N)c1C#N
InChIInChI=1S/C18H16N10O/c1-26(2)18(29)28-13(10-20)12(9-19)22-17(28)24-23-15-14(25-27(3)16(15)21)11-7-5-4-6-8-11/h4-8H,21H2,1-3H3/b24-23+
InChIKeyOAWGFLNFZRFWNO-WCWDXBQESA-N
MW388.40 g/mol
LogP2.55
Rot. Bonds3

About 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide

2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide (PubChem CID 135983793) has the molecular formula C18H16N10O and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide.

Molecular Properties

Compound Name2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
PubChem CID135983793
Molecular FormulaC18H16N10O
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1c(/N=N/c2c(-c3ccccc3)nn(C)c2N)nc(C#N)c1C#N
InChIInChI=1S/C18H16N10O/c1-26(2)18(29)28-13(10-20)12(9-19)22-17(28)24-23-15-14(25-27(3)16(15)21)11-7-5-4-6-8-11/h4-8H,21H2,1-3H3/b24-23+
InChIKeyOAWGFLNFZRFWNO-WCWDXBQESA-N
XLogP2.55
TPSA154.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide 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-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The IUPAC name of 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide (CID 135983793) is 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide.
What is the SMILES notation for 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The canonical SMILES for 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide is CN(C)C(=O)n1c(/N=N/c2c(-c3ccccc3)nn(C)c2N)nc(C#N)c1C#N.
What is the InChIKey of 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The InChIKey is OAWGFLNFZRFWNO-WCWDXBQESA-N. The full InChI is InChI=1S/C18H16N10O/c1-26(2)18(29)28-13(10-20)12(9-19)22-17(28)24-23-15-14(25-27(3)16(15)21)11-7-5-4-6-8-11/h4-8H,21H2,1-3H3/b24-23+.
What are the key properties of 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)diazenyl]-4,5-dicyano-N,N-dimethylimidazole-1-carboxamide is sourced from PubChem (CID 135983793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).