2-indazol-2-yl-1-phenylethanone

C30H24N4O2 — CID 139085125

IUPAC2-indazol-2-yl-1-phenylethanone
SMILESO=C(Cn1cc2ccccc2n1)c1ccccc1.O=C(Cn1cc2ccccc2n1)c1ccccc1
InChIInChI=1S/2C15H12N2O/c2*18-15(12-6-2-1-3-7-12)11-17-10-13-8-4-5-9-14(13)16-17/h2*1-10H,11H2
InChIKeyVFYCAVHMHVHXDN-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.84
Rot. Bonds6

About 2-indazol-2-yl-1-phenylethanone

2-indazol-2-yl-1-phenylethanone (PubChem CID 139085125) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-indazol-2-yl-1-phenylethanone.

Molecular Properties

Compound Name2-indazol-2-yl-1-phenylethanone
PubChem CID139085125
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name2-indazol-2-yl-1-phenylethanone
SMILESO=C(Cn1cc2ccccc2n1)c1ccccc1.O=C(Cn1cc2ccccc2n1)c1ccccc1
InChIInChI=1S/2C15H12N2O/c2*18-15(12-6-2-1-3-7-12)11-17-10-13-8-4-5-9-14(13)16-17/h2*1-10H,11H2
InChIKeyVFYCAVHMHVHXDN-UHFFFAOYSA-N
XLogP5.84
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone
CID 155518859
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(2-methylphenyl)ethanone
CID 155528812
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone
CID 155550424
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(4-iodophenyl)ethanone
CID 155510448
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(3-fluorophenyl)ethanone
CID 155510748
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(4-fluorophenyl)ethanone
CID 155511393
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(4-methylphenyl)ethanone
CID 155526283
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(2-fluorophenyl)ethanone
CID 155539100
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(3-iodophenyl)ethanone
CID 155569240
US9783527, Example 143
CID 118937570

Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-1-phenylethanone?
The IUPAC name of 2-indazol-2-yl-1-phenylethanone (CID 139085125) is 2-indazol-2-yl-1-phenylethanone.
What is the SMILES notation for 2-indazol-2-yl-1-phenylethanone?
The canonical SMILES for 2-indazol-2-yl-1-phenylethanone is O=C(Cn1cc2ccccc2n1)c1ccccc1.O=C(Cn1cc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-indazol-2-yl-1-phenylethanone?
The InChIKey is VFYCAVHMHVHXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N2O/c2*18-15(12-6-2-1-3-7-12)11-17-10-13-8-4-5-9-14(13)16-17/h2*1-10H,11H2.
What are the key properties of 2-indazol-2-yl-1-phenylethanone?
2-indazol-2-yl-1-phenylethanone has a molecular weight of 472.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-1-phenylethanone is sourced from PubChem (CID 139085125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).