2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone

C18H18N2O — CID 62140199

IUPAC2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C18H18N2O/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-17-6-4-3-5-16(17)11-19-20/h3-11,13H,12H2,1-2H3
InChIKeySHMRONPFJBSIJY-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.04
Rot. Bonds4

About 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone

2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 62140199) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID62140199
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C18H18N2O/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-17-6-4-3-5-16(17)11-19-20/h3-11,13H,12H2,1-2H3
InChIKeySHMRONPFJBSIJY-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone (CID 62140199) is 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)Cn2ncc3ccccc32)cc1.
What is the InChIKey of 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is SHMRONPFJBSIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-17-6-4-3-5-16(17)11-19-20/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone?
2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 62140199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).