2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

C15H17N3O — CID 116609303

IUPAC2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCn1ccc(CC(=O)c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C15H17N3O/c1-18-7-5-14(17-18)9-15(19)12-3-2-11-4-6-16-10-13(11)8-12/h2-3,5,7-8,16H,4,6,9-10H2,1H3
InChIKeySZUDSDBPEDHOND-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.49
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (PubChem CID 116609303) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
PubChem CID116609303
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCn1ccc(CC(=O)c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C15H17N3O/c1-18-7-5-14(17-18)9-15(19)12-3-2-11-4-6-16-10-13(11)8-12/h2-3,5,7-8,16H,4,6,9-10H2,1H3
InChIKeySZUDSDBPEDHOND-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

14-(Methylamino)-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 53310395
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4-(aminomethyl)-6-(1-methylpyrazol-4-yl)-2H-phthalazin-1-one
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KC 764
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N-methyl-4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzamide
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2-[5-(1-Methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]acetamide
CID 71601485
N-benzyl-2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (CID 116609303) is 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is Cn1ccc(CC(=O)c2ccc3c(c2)CNCC3)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The InChIKey is SZUDSDBPEDHOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-7-5-14(17-18)9-15(19)12-3-2-11-4-6-16-10-13(11)8-12/h2-3,5,7-8,16H,4,6,9-10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is sourced from PubChem (CID 116609303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).