1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone

C17H16N2O — CID 103123957

IUPAC1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)11-16(20)17-14-5-3-4-6-15(14)19(2)18-17/h3-10H,11H2,1-2H3
InChIKeyJEDPQHMTMVTXNS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.31
Rot. Bonds3

About 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone

1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone (PubChem CID 103123957) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
PubChem CID103123957
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)11-16(20)17-14-5-3-4-6-15(14)19(2)18-17/h3-10H,11H2,1-2H3
InChIKeyJEDPQHMTMVTXNS-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
CID 103124833
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone (CID 103123957) is 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2nn(C)c3ccccc23)cc1.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is JEDPQHMTMVTXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-13(10-8-12)11-16(20)17-14-5-3-4-6-15(14)19(2)18-17/h3-10H,11H2,1-2H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone?
1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 103123957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).