2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one

C16H19N3O — CID 139382751

IUPAC2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
SMILESCC(C)c1cccc2c1CC(=O)N(c1cnn(C)c1)C2
InChIInChI=1S/C16H19N3O/c1-11(2)14-6-4-5-12-9-19(16(20)7-15(12)14)13-8-17-18(3)10-13/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyTVIQCJUTDJNJHX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one

2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one (PubChem CID 139382751) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
PubChem CID139382751
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
SMILESCC(C)c1cccc2c1CC(=O)N(c1cnn(C)c1)C2
InChIInChI=1S/C16H19N3O/c1-11(2)14-6-4-5-12-9-19(16(20)7-15(12)14)13-8-17-18(3)10-13/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyTVIQCJUTDJNJHX-UHFFFAOYSA-N
XLogP2.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
CID 167034342
(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 176873062
2-methylsulfinyl-8-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 137382327
3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126777765
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905427
N-[2-(2-methoxyphenyl)propyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435489
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one
CID 124617538
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71976492
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one (CID 139382751) is 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one is CC(C)c1cccc2c1CC(=O)N(c1cnn(C)c1)C2.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one?
The InChIKey is TVIQCJUTDJNJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)14-6-4-5-12-9-19(16(20)7-15(12)14)13-8-17-18(3)10-13/h4-6,8,10-11H,7,9H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one?
2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one has a molecular weight of 269.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 139382751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).