1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol

C15H14N4O — CID 136818473

IUPAC1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
SMILESCc1nn(C)cc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10-13(9-19(2)18-10)16-17-15-12-6-4-3-5-11(12)7-8-14(15)20/h3-9,20H,1-2H3/b17-16+
InChIKeyAAZXRCVURXJHNW-WUKNDPDISA-N
MW266.30 g/mol
LogP4.00
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol

1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol (PubChem CID 136818473) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
PubChem CID136818473
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
SMILESCc1nn(C)cc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10-13(9-19(2)18-10)16-17-15-12-6-4-3-5-11(12)7-8-14(15)20/h3-9,20H,1-2H3/b17-16+
InChIKeyAAZXRCVURXJHNW-WUKNDPDISA-N
XLogP4.00
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.00
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'}

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Related Compounds

1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
CID 135588648
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid)
CID 165415560
1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol
CID 165352937
2-[2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylphenyl]-3-methyl-1H-pyrazol-5-one
CID 135436621
1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
CID 136629139
1-([1,2,4]triazolo[4,3-a]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 165351154
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol (CID 136818473) is 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol is Cc1nn(C)cc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol?
The InChIKey is AAZXRCVURXJHNW-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-13(9-19(2)18-10)16-17-15-12-6-4-3-5-11(12)7-8-14(15)20/h3-9,20H,1-2H3/b17-16+.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol?
1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol has a molecular weight of 266.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136818473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).