2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide

C15H15ClN4O2 — CID 75393464

IUPAC2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCn1cc(NC(=O)C(=O)N2CCc3ccc(Cl)cc3C2)cn1
InChIInChI=1S/C15H15ClN4O2/c1-19-9-13(7-17-19)18-14(21)15(22)20-5-4-10-2-3-12(16)6-11(10)8-20/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,21)
InChIKeyXFUVBTKUMYDPGW-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.60
Rot. Bonds1

About 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide

2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 75393464) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
PubChem CID75393464
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCn1cc(NC(=O)C(=O)N2CCc3ccc(Cl)cc3C2)cn1
InChIInChI=1S/C15H15ClN4O2/c1-19-9-13(7-17-19)18-14(21)15(22)20-5-4-10-2-3-12(16)6-11(10)8-20/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,21)
InChIKeyXFUVBTKUMYDPGW-UHFFFAOYSA-N
XLogP1.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide 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

2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 141484721
US10323038, Example 194
CID 135375529
US10323038, Example 193
CID 135375920
2-[4-[1-(2-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53502170
2-[4-[1-(4-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53502613
2-[4-[1-(3-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503559
2-[4-[[(4-Chlorophenyl)methyl-methylcarbamoyl]amino]pyrazol-1-yl]acetamide
CID 53503571
2-[4-[[(2-Chloro-6-fluorophenyl)methyl-methylcarbamoyl]amino]pyrazol-1-yl]acetamide
CID 53504491
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53508652
2-[4-[[1-(4-Chlorophenyl)-2-methylpropyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 53516903
N-(1-methyl-1H-pyrazol-4-yl)-2-(2-oxo-5-phenylpyrazin-1(2H)-yl)acetamide
CID 60178571
2-[4-[5-(4-chlorophenyl)-3-pyridinyl]piperazin-1-yl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 177654287

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide (CID 75393464) is 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide is Cn1cc(NC(=O)C(=O)N2CCc3ccc(Cl)cc3C2)cn1.
What is the InChIKey of 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is XFUVBTKUMYDPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-19-9-13(7-17-19)18-14(21)15(22)20-5-4-10-2-3-12(16)6-11(10)8-20/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,21).
What are the key properties of 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 318.76 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 75393464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).