1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol

C17H14N2O3 — CID 135070489

IUPAC1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol
SMILESCc1cc(O)c2c(oc3c2c(C)nn3-c2ccccc2)c1O
InChIInChI=1S/C17H14N2O3/c1-9-8-12(20)14-13-10(2)18-19(11-6-4-3-5-7-11)17(13)22-16(14)15(9)21/h3-8,20-21H,1-2H3
InChIKeyREPPTIJRZGTVSZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.80
Rot. Bonds1

About 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol

1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol (PubChem CID 135070489) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol.

Molecular Properties

Compound Name1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol
PubChem CID135070489
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol
SMILESCc1cc(O)c2c(oc3c2c(C)nn3-c2ccccc2)c1O
InChIInChI=1S/C17H14N2O3/c1-9-8-12(20)14-13-10(2)18-19(11-6-4-3-5-7-11)17(13)22-16(14)15(9)21/h3-8,20-21H,1-2H3
InChIKeyREPPTIJRZGTVSZ-UHFFFAOYSA-N
XLogP3.80
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
CID 10383537
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
CID 10851602
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
1-(4-bromophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 555905
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
CID 13007928
1-(4-fluorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3124110
1-(4-iodophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 1021428
8-hydroxy-4-methyl-2-phenylphthalazin-1-one
CID 5492996
2-[3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrano[3,2-d]pyrazol-5-yl]acetic acid
CID 50888973
3-methyl-1-phenylindazol-5-ol
CID 105481865

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol?
The IUPAC name of 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol (CID 135070489) is 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol.
What is the SMILES notation for 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol?
The canonical SMILES for 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol is Cc1cc(O)c2c(oc3c2c(C)nn3-c2ccccc2)c1O.
What is the InChIKey of 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol?
The InChIKey is REPPTIJRZGTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-9-8-12(20)14-13-10(2)18-19(11-6-4-3-5-7-11)17(13)22-16(14)15(9)21/h3-8,20-21H,1-2H3.
What are the key properties of 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol?
1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol has a molecular weight of 294.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol is sourced from PubChem (CID 135070489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).