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

C14H15FN4O — CID 120882854

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C14H15FN4O/c15-14-11-4-6-16-8-10(11)2-3-12(14)18-13(20)9-19-7-1-5-17-19/h1-3,5,7,16H,4,6,8-9H2,(H,18,20)
InChIKeyQBMYIXLJGCGXIA-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.31
Rot. Bonds3

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide (PubChem CID 120882854) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
PubChem CID120882854
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C14H15FN4O/c15-14-11-4-6-16-8-10(11)2-3-12(14)18-13(20)9-19-7-1-5-17-19/h1-3,5,7,16H,4,6,8-9H2,(H,18,20)
InChIKeyQBMYIXLJGCGXIA-UHFFFAOYSA-N
XLogP1.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120884039
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 120881923
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120881017
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 120882278
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 120881996
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882532
3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
CID 126809638
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 120882233
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide (CID 120882854) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is QBMYIXLJGCGXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-14-11-4-6-16-8-10(11)2-3-12(14)18-13(20)9-19-7-1-5-17-19/h1-3,5,7,16H,4,6,8-9H2,(H,18,20).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 274.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 120882854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).