3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone

C14H15N3O — CID 20918269

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-10-8-13(16-15-10)14(18)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyYLESOQNMNFGTQC-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.92
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 20918269) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID20918269
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-10-8-13(16-15-10)14(18)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyYLESOQNMNFGTQC-UHFFFAOYSA-N
XLogP1.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70784145
(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 86768825
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489562
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136832021
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
(3-amino-1H-1,2,4-triazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62806978
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109327086

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone (CID 20918269) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is YLESOQNMNFGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-13(16-15-10)14(18)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20918269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).