1-[indazol-1-yl(phenyl)methyl]indazole

C21H16N4 — CID 14116638

IUPAC1-[indazol-1-yl(phenyl)methyl]indazole
SMILESc1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H16N4/c1-2-8-16(9-3-1)21(24-19-12-6-4-10-17(19)14-22-24)25-20-13-7-5-11-18(20)15-23-25/h1-15,21H
InChIKeyWOIGUGGPVLDUEV-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.48
Rot. Bonds3

About 1-[indazol-1-yl(phenyl)methyl]indazole

1-[indazol-1-yl(phenyl)methyl]indazole (PubChem CID 14116638) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[indazol-1-yl(phenyl)methyl]indazole.

Molecular Properties

Compound Name1-[indazol-1-yl(phenyl)methyl]indazole
PubChem CID14116638
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name1-[indazol-1-yl(phenyl)methyl]indazole
SMILESc1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H16N4/c1-2-8-16(9-3-1)21(24-19-12-6-4-10-17(19)14-22-24)25-20-13-7-5-11-18(20)15-23-25/h1-15,21H
InChIKeyWOIGUGGPVLDUEV-UHFFFAOYSA-N
XLogP4.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[indazol-1-yl(phenyl)methyl]indazole?
The IUPAC name of 1-[indazol-1-yl(phenyl)methyl]indazole (CID 14116638) is 1-[indazol-1-yl(phenyl)methyl]indazole.
What is the SMILES notation for 1-[indazol-1-yl(phenyl)methyl]indazole?
The canonical SMILES for 1-[indazol-1-yl(phenyl)methyl]indazole is c1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1.
What is the InChIKey of 1-[indazol-1-yl(phenyl)methyl]indazole?
The InChIKey is WOIGUGGPVLDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-8-16(9-3-1)21(24-19-12-6-4-10-17(19)14-22-24)25-20-13-7-5-11-18(20)15-23-25/h1-15,21H.
What are the key properties of 1-[indazol-1-yl(phenyl)methyl]indazole?
1-[indazol-1-yl(phenyl)methyl]indazole has a molecular weight of 324.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[indazol-1-yl(phenyl)methyl]indazole is sourced from PubChem (CID 14116638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).