1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C15H16N4 — CID 62823191

IUPAC1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cccc3cnccc23)cn1
InChIInChI=1S/C15H16N4/c1-19-11-12(8-18-19)7-17-10-14-4-2-3-13-9-16-6-5-15(13)14/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyQFMAPPNKZYKUPJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.26
Rot. Bonds4

About 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 62823191) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID62823191
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cccc3cnccc23)cn1
InChIInChI=1S/C15H16N4/c1-19-11-12(8-18-19)7-17-10-14-4-2-3-13-9-16-6-5-15(13)14/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyQFMAPPNKZYKUPJ-UHFFFAOYSA-N
XLogP2.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381709
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366
N-(isoquinolin-5-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626991
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
2-bromo-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 61392128
2-chloro-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112554197
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 62823191) is 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCc2cccc3cnccc23)cn1.
What is the InChIKey of 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is QFMAPPNKZYKUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-11-12(8-18-19)7-17-10-14-4-2-3-13-9-16-6-5-15(13)14/h2-6,8-9,11,17H,7,10H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62823191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).