1-(1-methylindazol-3-yl)-3-phenylpropan-1-one

C17H16N2O — CID 103123981

IUPAC1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
SMILESCn1nc(C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-19-15-10-6-5-9-14(15)17(18-19)16(20)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyDCLVXGLZGBDUSD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.39
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one

1-(1-methylindazol-3-yl)-3-phenylpropan-1-one (PubChem CID 103123981) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
PubChem CID103123981
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
SMILESCn1nc(C(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-19-15-10-6-5-9-14(15)17(18-19)16(20)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyDCLVXGLZGBDUSD-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one
CID 67900118
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
CID 139216501

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one (CID 103123981) is 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one is Cn1nc(C(=O)CCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one?
The InChIKey is DCLVXGLZGBDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-15-10-6-5-9-14(15)17(18-19)16(20)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-phenylpropan-1-one?
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 3.39, 4 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)-3-phenylpropan-1-one is sourced from PubChem (CID 103123981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).