3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol

C17H15N5O2 — CID 155563743

IUPAC3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCOc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C17H15N5O2/c1-21-14(6-7-18-21)11-8-15-17(16(9-11)24-2)19-20-22(15)12-4-3-5-13(23)10-12/h3-10,23H,1-2H3
InChIKeyMVFJXQXGXFUFFA-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.54
Rot. Bonds3

About 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol

3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (PubChem CID 155563743) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
PubChem CID155563743
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCOc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C17H15N5O2/c1-21-14(6-7-18-21)11-8-15-17(16(9-11)24-2)19-20-22(15)12-4-3-5-13(23)10-12/h3-10,23H,1-2H3
InChIKeyMVFJXQXGXFUFFA-UHFFFAOYSA-N
XLogP2.54
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-Methyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 146433270
3-[4-Ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155553296
3-[6-(2-Methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155511705
3-[4-Ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155523514
3-[4-(2-Hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155524869
3-[6-(2-Methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol
CID 155565469
3-[1-[[1-(3-Methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]phenol
CID 56714375
6-[1-[1-(2-Methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137251575
3-[[2-methoxy-5-(5H-pyrrolo[3,2-c]pyridazin-6-yl)anilino]methyl]phenol
CID 22324392
1-[3-(2-Methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]propan-1-ol
CID 59134862
3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine
CID 59134886
[3-(2-Methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol
CID 59134908

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The IUPAC name of 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (CID 155563743) is 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.
What is the SMILES notation for 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The canonical SMILES for 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is COc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1.
What is the InChIKey of 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The InChIKey is MVFJXQXGXFUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-21-14(6-7-18-21)11-8-15-17(16(9-11)24-2)19-20-22(15)12-4-3-5-13(23)10-12/h3-10,23H,1-2H3.
What are the key properties of 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol has a molecular weight of 321.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is sourced from PubChem (CID 155563743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).