5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine

C15H16N4O — CID 106537769

IUPAC5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3cn[nH]c3C)nccc12
InChIInChI=1S/C15H16N4O/c1-10-11(9-18-19-10)8-17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCBKLUIWPFAQNKW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.89
Rot. Bonds4

About 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine

5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine (PubChem CID 106537769) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
PubChem CID106537769
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3cn[nH]c3C)nccc12
InChIInChI=1S/C15H16N4O/c1-10-11(9-18-19-10)8-17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCBKLUIWPFAQNKW-UHFFFAOYSA-N
XLogP2.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
N-[(4-bromophenyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106537400
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
CID 106419042
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538907
5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106538538
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538714
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine (CID 106537769) is 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine is COc1cccc2c(NCc3cn[nH]c3C)nccc12.
What is the InChIKey of 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine?
The InChIKey is CBKLUIWPFAQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-11(9-18-19-10)8-17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine?
5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106537769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).