4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol

C17H15N5O3 — CID 156630994

IUPAC4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=N/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O3/c1-11-17(19-18-13-3-9-16(23)10-4-13)12(2)21(20-11)14-5-7-15(8-6-14)22(24)25/h3-10,23H,1-2H3/b19-18+
InChIKeyPYDGSOMHFKMVFP-VHEBQXMUSA-N
MW337.34 g/mol
LogP4.52
Rot. Bonds4

About 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol

4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol (PubChem CID 156630994) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol
PubChem CID156630994
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=N/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O3/c1-11-17(19-18-13-3-9-16(23)10-4-13)12(2)21(20-11)14-5-7-15(8-6-14)22(24)25/h3-10,23H,1-2H3/b19-18+
InChIKeyPYDGSOMHFKMVFP-VHEBQXMUSA-N
XLogP4.52
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]benzoate
CID 7403952
4-[3,5-dimethyl-4-[(4-methylphenyl)diazenyl]pyrazol-1-yl]benzonitrile
CID 139069713
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene
CID 155817105
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
CID 155272345
4-nitrophenol
CID 88714583
[1-(2-iodophenyl)-3,5-dimethylpyrazol-4-yl]-(3-nitrophenyl)diazene
CID 27518071
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
CID 15026182
4-methylphenol;4-nitrophenol
CID 68529378
(Z)-3-amino-3-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 100989258
4-nitrophenol;phosphane
CID 157153413
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol?
The IUPAC name of 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol (CID 156630994) is 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol.
What is the SMILES notation for 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol?
The canonical SMILES for 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=N/c1ccc(O)cc1.
What is the InChIKey of 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol?
The InChIKey is PYDGSOMHFKMVFP-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-17(19-18-13-3-9-16(23)10-4-13)12(2)21(20-11)14-5-7-15(8-6-14)22(24)25/h3-10,23H,1-2H3/b19-18+.
What are the key properties of 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol?
4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol has a molecular weight of 337.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol is sourced from PubChem (CID 156630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).