1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine

C20H24N4S — CID 131922732

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(CN1CCc2ccccc2C1)NCc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C20H24N4S/c1-15(13-24-11-9-16-4-2-3-5-17(16)14-24)21-12-18-6-7-20(25-18)19-8-10-22-23-19/h2-8,10,15,21H,9,11-14H2,1H3,(H,22,23)
InChIKeyYTPPUSOMRALMFA-UHFFFAOYSA-N
MW352.51 g/mol
LogP3.67
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine

1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 131922732) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID131922732
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(CN1CCc2ccccc2C1)NCc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C20H24N4S/c1-15(13-24-11-9-16-4-2-3-5-17(16)14-24)21-12-18-6-7-20(25-18)19-8-10-22-23-19/h2-8,10,15,21H,9,11-14H2,1H3,(H,22,23)
InChIKeyYTPPUSOMRALMFA-UHFFFAOYSA-N
XLogP3.67
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 95228083
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
3-[[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 125442811
N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61472134
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol
CID 91767079
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 119108046
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
1-(1,3-dihydroisoindol-2-yl)-N-ethylpropan-2-amine
CID 62205194

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine (CID 131922732) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine is CC(CN1CCc2ccccc2C1)NCc1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is YTPPUSOMRALMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-15(13-24-11-9-16-4-2-3-5-17(16)14-24)21-12-18-6-7-20(25-18)19-8-10-22-23-19/h2-8,10,15,21H,9,11-14H2,1H3,(H,22,23).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 352.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 131922732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).