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

C18H15N5O — CID 155553296

IUPAC3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESC=Cc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C18H15N5O/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/h3-11,24H,1H2,2H3
InChIKeyFUCMPBZHQGJGOT-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.17
Rot. Bonds3

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

3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (PubChem CID 155553296) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
PubChem CID155553296
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESC=Cc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1
InChIInChI=1S/C18H15N5O/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/h3-11,24H,1H2,2H3
InChIKeyFUCMPBZHQGJGOT-UHFFFAOYSA-N
XLogP3.17
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The IUPAC name of 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (CID 155553296) is 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.
What is the SMILES notation for 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The canonical SMILES for 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is C=Cc1cc(-c2ccnn2C)cc2c1nnn2-c1cccc(O)c1.
What is the InChIKey of 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The InChIKey is FUCMPBZHQGJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/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/h3-11,24H,1H2,2H3.
What are the key properties of 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol has a molecular weight of 317.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is sourced from PubChem (CID 155553296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).