(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate

C15H13N3O3 — CID 75517647

IUPAC(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate
SMILESCOc1cc2ccncc2cc1OC(=O)c1cnn(C)c1
InChIInChI=1S/C15H13N3O3/c1-18-9-12(8-17-18)15(19)21-14-6-11-7-16-4-3-10(11)5-13(14)20-2/h3-9H,1-2H3
InChIKeyXPYUOFBJXDFKTF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.20
Rot. Bonds3

About (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate

(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate (PubChem CID 75517647) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate
PubChem CID75517647
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate
SMILESCOc1cc2ccncc2cc1OC(=O)c1cnn(C)c1
InChIInChI=1S/C15H13N3O3/c1-18-9-12(8-17-18)15(19)21-14-6-11-7-16-4-3-10(11)5-13(14)20-2/h3-9H,1-2H3
InChIKeyXPYUOFBJXDFKTF-UHFFFAOYSA-N
XLogP2.20
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate 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

(2-methoxy-4-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 47118840
(6-methoxyisoquinolin-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 75498922
(2-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 78817311
[3-(1-methyl-1,2,4-triazol-3-yl)phenyl] 1-methylpyrazole-4-carboxylate
CID 86819167
4-(1-methylpyrazole-4-carbonyl)oxybenzoic acid
CID 95732758
7-methoxyisoquinolin-6-ol;hydrochloride
CID 135539724
2,3-dihydro-1,4-benzodioxin-6-yl 1-methylpyrazole-4-carboxylate
CID 78829908
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
[4-(triazol-1-yl)phenyl] 1-methylpyrazole-4-carboxylate
CID 167914291
(6-hydroxy-3-methoxynaphthalen-2-yl) benzoate
CID 174692720
(E)-1-(1-methylpyrazol-4-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 19543246

Frequently Asked Questions

What is the IUPAC name of (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate?
The IUPAC name of (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate (CID 75517647) is (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate?
The canonical SMILES for (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate is COc1cc2ccncc2cc1OC(=O)c1cnn(C)c1.
What is the InChIKey of (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate?
The InChIKey is XPYUOFBJXDFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-18-9-12(8-17-18)15(19)21-14-6-11-7-16-4-3-10(11)5-13(14)20-2/h3-9H,1-2H3.
What are the key properties of (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate?
(6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyisoquinolin-7-yl) 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 75517647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).