2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol

C19H15N3O3 — CID 135634342

IUPAC2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
SMILESCOc1ccc(-c2cc3nccc(-c4cc(O)ccc4O)n3n2)cc1
InChIInChI=1S/C19H15N3O3/c1-25-14-5-2-12(3-6-14)16-11-19-20-9-8-17(22(19)21-16)15-10-13(23)4-7-18(15)24/h2-11,23-24H,1H3
InChIKeyYRHXPUOICDLRBT-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.48
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol

2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol (PubChem CID 135634342) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
PubChem CID135634342
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
SMILESCOc1ccc(-c2cc3nccc(-c4cc(O)ccc4O)n3n2)cc1
InChIInChI=1S/C19H15N3O3/c1-25-14-5-2-12(3-6-14)16-11-19-20-9-8-17(22(19)21-16)15-10-13(23)4-7-18(15)24/h2-11,23-24H,1H3
InChIKeyYRHXPUOICDLRBT-UHFFFAOYSA-N
XLogP3.48
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135939559
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
CID 135750248
ethyl 2-[2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy]acetate
CID 46502863
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135973862
2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19552881
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenol
CID 135973863
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135635616
5-methoxy-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135949504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol?
The IUPAC name of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol (CID 135634342) is 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol is COc1ccc(-c2cc3nccc(-c4cc(O)ccc4O)n3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol?
The InChIKey is YRHXPUOICDLRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-25-14-5-2-12(3-6-14)16-11-19-20-9-8-17(22(19)21-16)15-10-13(23)4-7-18(15)24/h2-11,23-24H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol?
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol has a molecular weight of 333.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol is sourced from PubChem (CID 135634342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).