1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole

C23H17N7O — CID 155553249

IUPAC1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole
SMILESCOc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H17N7O/c1-31-19-4-2-3-17(12-19)29-22(9-10-25-29)15-6-8-20-23(11-15)30(28-27-20)18-7-5-16-14-24-26-21(16)13-18/h2-14H,1H3,(H,24,26)
InChIKeyAHKDJIUXNAKVSI-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.16
Rot. Bonds4

About 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole

1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole (PubChem CID 155553249) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole
PubChem CID155553249
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole
SMILESCOc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H17N7O/c1-31-19-4-2-3-17(12-19)29-22(9-10-25-29)15-6-8-20-23(11-15)30(28-27-20)18-7-5-16-14-24-26-21(16)13-18/h2-14H,1H3,(H,24,26)
InChIKeyAHKDJIUXNAKVSI-UHFFFAOYSA-N
XLogP4.16
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole (CID 155553249) is 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole is COc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole?
The InChIKey is AHKDJIUXNAKVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c1-31-19-4-2-3-17(12-19)29-22(9-10-25-29)15-6-8-20-23(11-15)30(28-27-20)18-7-5-16-14-24-26-21(16)13-18/h2-14H,1H3,(H,24,26).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole has a molecular weight of 407.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-6-[2-(3-methoxyphenyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 155553249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).