5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile

C15H14N6 — CID 20744713

IUPAC5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile
SMILESCc1c(/N=N/c2c(C#N)cnn2C)c2ccccc2n1C
InChIInChI=1S/C15H14N6/c1-10-14(12-6-4-5-7-13(12)20(10)2)18-19-15-11(8-16)9-17-21(15)3/h4-7,9H,1-3H3/b19-18+
InChIKeyRDTINGQBJTYRRD-VHEBQXMUSA-N
MW278.32 g/mol
LogP3.51
Rot. Bonds2

About 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile

5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile (PubChem CID 20744713) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile
PubChem CID20744713
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile
SMILESCc1c(/N=N/c2c(C#N)cnn2C)c2ccccc2n1C
InChIInChI=1S/C15H14N6/c1-10-14(12-6-4-5-7-13(12)20(10)2)18-19-15-11(8-16)9-17-21(15)3/h4-7,9H,1-3H3/b19-18+
InChIKeyRDTINGQBJTYRRD-VHEBQXMUSA-N
XLogP3.51
TPSA71.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
CID 87790627
1-methyl-5-phenylpyrazole-4-carbonitrile
CID 139271334
butyl-[4-[1-[4-[[3-[(4-cyano-1-methylpyrazol-5-yl)diazenyl]-2-methylindol-1-yl]methyl]phenyl]-5-[4-(dibutylamino)phenyl]-5-[4-[[3-[(4-isocyano-1-methylpyrazol-5-yl)diazenyl]-2-methylindol-1-yl]methyl]phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-propylazanium
CID 72647435
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
CID 87592312
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene
CID 68831616
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene chloride
CID 69224655
zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
CID 170853821
ethane;1,2,3-trimethylindole
CID 91590745
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
N-(1,2-dimethylindol-3-yl)-1-methylindazol-1-ium-3-imine
CID 59768777
3-iodo-1,2-dimethylindole
CID 19093282
5-[(3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 136643861

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile (CID 20744713) is 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile is Cc1c(/N=N/c2c(C#N)cnn2C)c2ccccc2n1C.
What is the InChIKey of 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile?
The InChIKey is RDTINGQBJTYRRD-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14N6/c1-10-14(12-6-4-5-7-13(12)20(10)2)18-19-15-11(8-16)9-17-21(15)3/h4-7,9H,1-3H3/b19-18+.
What are the key properties of 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile?
5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 20744713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).