7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one

C16H18N4O — CID 126815549

IUPAC7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one
SMILESCC(C)n1nccc1CNc1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C16H18N4O/c1-11(2)20-14(6-8-19-20)10-18-13-4-3-12-5-7-17-16(21)15(12)9-13/h3-9,11,18H,10H2,1-2H3,(H,17,21)
InChIKeyXGKFDWSVBQCHCY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.92
Rot. Bonds4

About 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one

7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one (PubChem CID 126815549) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one
PubChem CID126815549
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one
SMILESCC(C)n1nccc1CNc1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C16H18N4O/c1-11(2)20-14(6-8-19-20)10-18-13-4-3-12-5-7-17-16(21)15(12)9-13/h3-9,11,18H,10H2,1-2H3,(H,17,21)
InChIKeyXGKFDWSVBQCHCY-UHFFFAOYSA-N
XLogP2.92
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]phenyl]propanoic acid
CID 122044316
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
6-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-2H-isoquinolin-1-one
CID 154784983
1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137277698
N-[(2-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 43663311
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
CID 122165994
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
9-bromo-6-[(2-methylpyrazol-3-yl)methylamino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25094963
2-(2-propan-2-ylpyrazol-3-yl)acetaldehyde
CID 83872578
7-(3-methylpyrazol-1-yl)-2H-isoquinolin-1-one
CID 50982523

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one?
The IUPAC name of 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one (CID 126815549) is 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one?
The canonical SMILES for 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one is CC(C)n1nccc1CNc1ccc2cc[nH]c(=O)c2c1.
What is the InChIKey of 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one?
The InChIKey is XGKFDWSVBQCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(2)20-14(6-8-19-20)10-18-13-4-3-12-5-7-17-16(21)15(12)9-13/h3-9,11,18H,10H2,1-2H3,(H,17,21).
What are the key properties of 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one?
7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one has a molecular weight of 282.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propan-2-ylpyrazol-3-yl)methylamino]-2H-isoquinolin-1-one is sourced from PubChem (CID 126815549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).