3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide

C19H16F2N4O — CID 126809638

IUPAC3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H16F2N4O/c20-15-10-12(3-5-17(15)25-9-1-7-23-25)19(26)24-16-4-2-13-11-22-8-6-14(13)18(16)21/h1-5,7,9-10,22H,6,8,11H2,(H,24,26)
InChIKeyKAGCFFFYBWIIRZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.05
Rot. Bonds3

About 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide

3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 126809638) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
PubChem CID126809638
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H16F2N4O/c20-15-10-12(3-5-17(15)25-9-1-7-23-25)19(26)24-16-4-2-13-11-22-8-6-14(13)18(16)21/h1-5,7,9-10,22H,6,8,11H2,(H,24,26)
InChIKeyKAGCFFFYBWIIRZ-UHFFFAOYSA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide 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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120884039
4-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(methylsulfanylmethyl)benzamide
CID 120883476
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 120881764
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120880945
3-fluoro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-pyrazol-1-ylbenzamide
CID 86890472
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide (CID 126809638) is 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide is O=C(Nc1ccc2c(c1F)CCNC2)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is KAGCFFFYBWIIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-15-10-12(3-5-17(15)25-9-1-7-23-25)19(26)24-16-4-2-13-11-22-8-6-14(13)18(16)21/h1-5,7,9-10,22H,6,8,11H2,(H,24,26).
What are the key properties of 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide?
3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 354.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 126809638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).