6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole

C23H16FN7 — CID 155536729

IUPAC6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H16FN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyYGNTXXMGYPHZRD-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.35
Rot. Bonds4

About 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole

6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155536729) has the molecular formula C23H16FN7 and a molecular weight of 409.43 g/mol. Its IUPAC name is 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155536729
Molecular FormulaC23H16FN7
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H16FN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyYGNTXXMGYPHZRD-UHFFFAOYSA-N
XLogP4.35
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole (CID 155536729) is 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole is Fc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1.
What is the InChIKey of 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is YGNTXXMGYPHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27).
What are the key properties of 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 409.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylpyrazol-3-yl)-4-fluoro-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155536729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).