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

C18H17N5O — CID 155523514

IUPAC3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCCc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C18H17N5O/c1-3-12-9-13(16-7-8-19-22(16)2)10-17-18(12)20-21-23(17)14-5-4-6-15(24)11-14/h4-11,24H,3H2,1-2H3
InChIKeyMGBPAXSIYTZGRM-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.09
Rot. Bonds3

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

3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (PubChem CID 155523514) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
PubChem CID155523514
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCCc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C18H17N5O/c1-3-12-9-13(16-7-8-19-22(16)2)10-17-18(12)20-21-23(17)14-5-4-6-15(24)11-14/h4-11,24H,3H2,1-2H3
InChIKeyMGBPAXSIYTZGRM-UHFFFAOYSA-N
XLogP3.09
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The IUPAC name of 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (CID 155523514) is 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.
What is the SMILES notation for 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The canonical SMILES for 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is CCc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1.
What is the InChIKey of 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The InChIKey is MGBPAXSIYTZGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-12-9-13(16-7-8-19-22(16)2)10-17-18(12)20-21-23(17)14-5-4-6-15(24)11-14/h4-11,24H,3H2,1-2H3.
What are the key properties of 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol has a molecular weight of 319.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is sourced from PubChem (CID 155523514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).