N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

C16H18N4 — CID 107038897

IUPACN-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1cnn(CCCNCc2ccc3cnccc3c2)c1
InChIInChI=1S/C16H18N4/c1(9-20-10-2-7-19-20)6-17-12-14-3-4-16-13-18-8-5-15(16)11-14/h2-5,7-8,10-11,13,17H,1,6,9,12H2
InChIKeyOAAZSCXJFGDJFL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.61
Rot. Bonds6

About N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 107038897) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID107038897
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1cnn(CCCNCc2ccc3cnccc3c2)c1
InChIInChI=1S/C16H18N4/c1(9-20-10-2-7-19-20)6-17-12-14-3-4-16-13-18-8-5-15(16)11-14/h2-5,7-8,10-11,13,17H,1,6,9,12H2
InChIKeyOAAZSCXJFGDJFL-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115748244
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
3-pyrazol-1-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115580174
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (CID 107038897) is N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is c1cnn(CCCNCc2ccc3cnccc3c2)c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is OAAZSCXJFGDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1(9-20-10-2-7-19-20)6-17-12-14-3-4-16-13-18-8-5-15(16)11-14/h2-5,7-8,10-11,13,17H,1,6,9,12H2.
What are the key properties of N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 107038897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).