2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

C15H18N4O — CID 80554367

IUPAC2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESCC(C(=O)Nc1cccc2c1CCNC2)n1cccn1
InChIInChI=1S/C15H18N4O/c1-11(19-9-3-7-17-19)15(20)18-14-5-2-4-12-10-16-8-6-13(12)14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,18,20)
InChIKeyFGJIUOFDCMPUQK-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds3

About 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (PubChem CID 80554367) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
PubChem CID80554367
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESCC(C(=O)Nc1cccc2c1CCNC2)n1cccn1
InChIInChI=1S/C15H18N4O/c1-11(19-9-3-7-17-19)15(20)18-14-5-2-4-12-10-16-8-6-13(12)14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,18,20)
InChIKeyFGJIUOFDCMPUQK-UHFFFAOYSA-N
XLogP1.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide 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-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43130627
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (CID 80554367) is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is CC(C(=O)Nc1cccc2c1CCNC2)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The InChIKey is FGJIUOFDCMPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(19-9-3-7-17-19)15(20)18-14-5-2-4-12-10-16-8-6-13(12)14/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,18,20).
What are the key properties of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is sourced from PubChem (CID 80554367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).