1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone

C16H18N4O — CID 102802810

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone
SMILESCCn1nc(CC(=O)c2cn(C)nc2C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-4-20-15-8-6-5-7-12(15)14(18-20)9-16(21)13-10-19(3)17-11(13)2/h5-8,10H,4,9H2,1-3H3
InChIKeyJLSHBQVGAGONFB-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.52
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone

1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone (PubChem CID 102802810) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone
PubChem CID102802810
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone
SMILESCCn1nc(CC(=O)c2cn(C)nc2C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-4-20-15-8-6-5-7-12(15)14(18-20)9-16(21)13-10-19(3)17-11(13)2/h5-8,10H,4,9H2,1-3H3
InChIKeyJLSHBQVGAGONFB-UHFFFAOYSA-N
XLogP2.52
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105110173
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanone
CID 102802696
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone (CID 102802810) is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone is CCn1nc(CC(=O)c2cn(C)nc2C)c2ccccc21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone?
The InChIKey is JLSHBQVGAGONFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-20-15-8-6-5-7-12(15)14(18-20)9-16(21)13-10-19(3)17-11(13)2/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone?
1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone has a molecular weight of 282.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone is sourced from PubChem (CID 102802810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).