1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole

C22H15N7 — CID 155567059

IUPAC1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole
SMILESc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C22H15N7/c1-2-4-17(5-3-1)28-21(10-11-24-28)15-7-9-19-22(12-15)29(27-26-19)18-8-6-16-14-23-25-20(16)13-18/h1-14H,(H,23,25)
InChIKeyOBMPSNTXKCWXHE-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.15
Rot. Bonds3

About 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole

1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole (PubChem CID 155567059) has the molecular formula C22H15N7 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole
PubChem CID155567059
Molecular FormulaC22H15N7
Molecular Weight377.41 g/mol
Exact Mass377.14
IUPAC Name1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole
SMILESc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C22H15N7/c1-2-4-17(5-3-1)28-21(10-11-24-28)15-7-9-19-22(12-15)29(27-26-19)18-8-6-16-14-23-25-20(16)13-18/h1-14H,(H,23,25)
InChIKeyOBMPSNTXKCWXHE-UHFFFAOYSA-N
XLogP4.15
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole (CID 155567059) is 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole is c1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole?
The InChIKey is OBMPSNTXKCWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7/c1-2-4-17(5-3-1)28-21(10-11-24-28)15-7-9-19-22(12-15)29(27-26-19)18-8-6-16-14-23-25-20(16)13-18/h1-14H,(H,23,25).
What are the key properties of 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole?
1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole has a molecular weight of 377.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-6-(2-phenylpyrazol-3-yl)benzotriazole is sourced from PubChem (CID 155567059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).