5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine

C14H14N4O — CID 106537946

IUPAC5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccn[nH]3)nccc12
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-18-10/h2-8H,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDYWQDUILGLNAED-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.58
Rot. Bonds4

About 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine

5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine (PubChem CID 106537946) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
PubChem CID106537946
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccn[nH]3)nccc12
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-18-10/h2-8H,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDYWQDUILGLNAED-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
CID 106537769
N-[(4-bromophenyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106537400
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
CID 106419042
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
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
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538907
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine (CID 106537946) is 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine is COc1cccc2c(NCc3ccn[nH]3)nccc12.
What is the InChIKey of 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine?
The InChIKey is DYWQDUILGLNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-18-10/h2-8H,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine?
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine has a molecular weight of 254.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 106537946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).