7-(1-methylpyrazol-4-yl)isoquinoline

C13H11N3 — CID 134091205

IUPAC7-(1-methylpyrazol-4-yl)isoquinoline
SMILESCn1cc(-c2ccc3ccncc3c2)cn1
InChIInChI=1S/C13H11N3/c1-16-9-13(8-15-16)11-3-2-10-4-5-14-7-12(10)6-11/h2-9H,1H3
InChIKeyZJIJSHWCIFBZAI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds1

About 7-(1-methylpyrazol-4-yl)isoquinoline

7-(1-methylpyrazol-4-yl)isoquinoline (PubChem CID 134091205) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)isoquinoline.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)isoquinoline
PubChem CID134091205
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name7-(1-methylpyrazol-4-yl)isoquinoline
SMILESCn1cc(-c2ccc3ccncc3c2)cn1
InChIInChI=1S/C13H11N3/c1-16-9-13(8-15-16)11-3-2-10-4-5-14-7-12(10)6-11/h2-9H,1H3
InChIKeyZJIJSHWCIFBZAI-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)isoquinoline?
The IUPAC name of 7-(1-methylpyrazol-4-yl)isoquinoline (CID 134091205) is 7-(1-methylpyrazol-4-yl)isoquinoline.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)isoquinoline?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)isoquinoline is Cn1cc(-c2ccc3ccncc3c2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)isoquinoline?
The InChIKey is ZJIJSHWCIFBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-16-9-13(8-15-16)11-3-2-10-4-5-14-7-12(10)6-11/h2-9H,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)isoquinoline?
7-(1-methylpyrazol-4-yl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)isoquinoline is sourced from PubChem (CID 134091205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).