N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

C16H18N4 — CID 115748244

IUPACN-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc2c(CNCCCn3cccn3)cncc2c1
InChIInChI=1S/C16H18N4/c1-2-6-16-14(5-1)11-18-13-15(16)12-17-7-3-9-20-10-4-8-19-20/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2
InChIKeyCMCZWIBYMSVPTO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.61
Rot. Bonds6

About N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine

N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115748244) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID115748244
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc2c(CNCCCn3cccn3)cncc2c1
InChIInChI=1S/C16H18N4/c1-2-6-16-14(5-1)11-18-13-15(16)12-17-7-3-9-20-10-4-8-19-20/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2
InChIKeyCMCZWIBYMSVPTO-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

3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
N-[(5-chloroquinolin-8-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 71969737
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine (CID 115748244) is N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is c1ccc2c(CNCCCn3cccn3)cncc2c1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is CMCZWIBYMSVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-6-16-14(5-1)11-18-13-15(16)12-17-7-3-9-20-10-4-8-19-20/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2.
What are the key properties of N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine?
N-(isoquinolin-4-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-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115748244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).