N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

C15H16N4 — CID 106209528

IUPACN-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc2cnccc12)c1cn[nH]c1
InChIInChI=1S/C15H16N4/c1-11(14-9-18-19-10-14)17-8-13-4-2-3-12-7-16-6-5-15(12)13/h2-7,9-11,17H,8H2,1H3,(H,18,19)
InChIKeyHXRTXLNREOODIM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 106209528) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID106209528
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc2cnccc12)c1cn[nH]c1
InChIInChI=1S/C15H16N4/c1-11(14-9-18-19-10-14)17-8-13-4-2-3-12-7-16-6-5-15(12)13/h2-7,9-11,17H,8H2,1H3,(H,18,19)
InChIKeyHXRTXLNREOODIM-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]benzonitrile
CID 113339174
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (CID 106209528) is N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is CC(NCc1cccc2cnccc12)c1cn[nH]c1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is HXRTXLNREOODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(14-9-18-19-10-14)17-8-13-4-2-3-12-7-16-6-5-15(12)13/h2-7,9-11,17H,8H2,1H3,(H,18,19).
What are the key properties of N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 106209528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).