2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

C22H23ClF2N4O — CID 120881289

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C22H22F2N4O.ClH/c1-13-19(14(2)28(27-13)17-6-4-16(23)5-7-17)11-21(29)26-20-8-3-15-12-25-10-9-18(15)22(20)24;/h3-8,25H,9-12H2,1-2H3,(H,26,29);1H
InChIKeySVTHSOGDNULHIK-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.02
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (PubChem CID 120881289) has the molecular formula C22H23ClF2N4O and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
PubChem CID120881289
Molecular FormulaC22H23ClF2N4O
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C22H22F2N4O.ClH/c1-13-19(14(2)28(27-13)17-6-4-16(23)5-7-17)11-21(29)26-20-8-3-15-12-25-10-9-18(15)22(20)24;/h3-8,25H,9-12H2,1-2H3,(H,26,29);1H
InChIKeySVTHSOGDNULHIK-UHFFFAOYSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120882325
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CID 120883113
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 120883127
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
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CID 120948428
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120882759
2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883571
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (CID 120881289) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The InChIKey is SVTHSOGDNULHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O.ClH/c1-13-19(14(2)28(27-13)17-6-4-16(23)5-7-17)11-21(29)26-20-8-3-15-12-25-10-9-18(15)22(20)24;/h3-8,25H,9-12H2,1-2H3,(H,26,29);1H.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride has a molecular weight of 432.90 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 120881289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).