[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H16ClN3O2 — CID 35335152

IUPAC[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCc2ccccc2C1
InChIInChI=1S/C18H16ClN3O2/c19-15-9-20-22(11-15)12-16-5-6-17(24-16)18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,9,11H,7-8,10,12H2
InChIKeyDWWYZOYSVRJZDA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.38
Rot. Bonds3

About [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 35335152) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID35335152
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCc2ccccc2C1
InChIInChI=1S/C18H16ClN3O2/c19-15-9-20-22(11-15)12-16-5-6-17(24-16)18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,9,11H,7-8,10,12H2
InChIKeyDWWYZOYSVRJZDA-UHFFFAOYSA-N
XLogP3.38
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 44820904
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidin-1-yl]methanone
CID 95852104
(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 113236859
[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4270423
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
[6-(1-benzylpyrazol-4-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4161295
6-tert-butyl-4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4571899
[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
CID 125441733
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
CID 96587626
(5-chloro-1-benzofuran-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 27659688

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 35335152) is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCc2ccccc2C1.
What is the InChIKey of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is DWWYZOYSVRJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-9-20-22(11-15)12-16-5-6-17(24-16)18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,9,11H,7-8,10,12H2.
What are the key properties of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 341.80 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 35335152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).