N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride

C15H19Cl2FN4O — CID 120884039

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1cccn1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C15H17FN4O.2ClH/c16-15-12-4-7-17-10-11(12)2-3-13(15)19-14(21)5-9-20-8-1-6-18-20;;/h1-3,6,8,17H,4-5,7,9-10H2,(H,19,21);2*1H
InChIKeyWTZSLIJAVPGAMJ-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.54
Rot. Bonds4

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 120884039) has the molecular formula C15H19Cl2FN4O and a molecular weight of 361.25 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID120884039
Molecular FormulaC15H19Cl2FN4O
Molecular Weight361.25 g/mol
Exact Mass360.09
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1cccn1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C15H17FN4O.2ClH/c16-15-12-4-7-17-10-11(12)2-3-13(15)19-14(21)5-9-20-8-1-6-18-20;;/h1-3,6,8,17H,4-5,7,9-10H2,(H,19,21);2*1H
InChIKeyWTZSLIJAVPGAMJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 120881923
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881861
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
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)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120881017
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride (CID 120884039) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride is Cl.Cl.O=C(CCn1cccn1)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is WTZSLIJAVPGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.2ClH/c16-15-12-4-7-17-10-11(12)2-3-13(15)19-14(21)5-9-20-8-1-6-18-20;;/h1-3,6,8,17H,4-5,7,9-10H2,(H,19,21);2*1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 361.25 g/mol, XLogP of 2.54, 4 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)-3-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120884039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).