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

C23H17N7 — CID 146433315

IUPAC1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H17N7/c1-15-3-2-4-18(11-15)29-22(9-10-25-29)16-6-8-20-23(12-16)30(28-27-20)19-7-5-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26)
InChIKeyICRVIEXLNCMOKU-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.46
Rot. Bonds3

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

1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (PubChem CID 146433315) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
PubChem CID146433315
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H17N7/c1-15-3-2-4-18(11-15)29-22(9-10-25-29)16-6-8-20-23(12-16)30(28-27-20)19-7-5-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26)
InChIKeyICRVIEXLNCMOKU-UHFFFAOYSA-N
XLogP4.46
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.46
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-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (CID 146433315) is 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole is Cc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The InChIKey is ICRVIEXLNCMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-15-3-2-4-18(11-15)29-22(9-10-25-29)16-6-8-20-23(12-16)30(28-27-20)19-7-5-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole has a molecular weight of 391.44 g/mol, XLogP of 4.46, 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-(3-methylphenyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 146433315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).