(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol

C17H17N3O2 — CID 96574645

IUPAC(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2ccccc21
InChIInChI=1S/C17H17N3O2/c21-16-11-20(9-12-3-1-2-4-14(12)16)10-13-5-6-17(22-13)15-7-8-18-19-15/h1-8,16,21H,9-11H2,(H,18,19)/t16-/m1/s1
InChIKeyDILDPEKZBZRDJV-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.72
Rot. Bonds3

About (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol

(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 96574645) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID96574645
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2ccccc21
InChIInChI=1S/C17H17N3O2/c21-16-11-20(9-12-3-1-2-4-14(12)16)10-13-5-6-17(22-13)15-7-8-18-19-15/h1-8,16,21H,9-11H2,(H,18,19)/t16-/m1/s1
InChIKeyDILDPEKZBZRDJV-MRXNPFEDSA-N
XLogP2.72
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56912885
(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
(3R,4R)-4-(azepan-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 42286515
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
CID 74231008
(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 70742072
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
CID 50953242
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665468
[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 133132545
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
(1S,5R)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72913412
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
(1S,5R)-6-(3-methylbut-2-enyl)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70785582

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol (CID 96574645) is (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol is O[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2ccccc21.
What is the InChIKey of (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is DILDPEKZBZRDJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-11-20(9-12-3-1-2-4-14(12)16)10-13-5-6-17(22-13)15-7-8-18-19-15/h1-8,16,21H,9-11H2,(H,18,19)/t16-/m1/s1.
What are the key properties of (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 295.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 96574645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).