5-(5-methylpyrazol-1-yl)isoquinoline

C13H11N3 — CID 139907357

IUPAC5-(5-methylpyrazol-1-yl)isoquinoline
SMILESCc1ccnn1-c1cccc2cnccc12
InChIInChI=1S/C13H11N3/c1-10-5-8-15-16(10)13-4-2-3-11-9-14-7-6-12(11)13/h2-9H,1H3
InChIKeyNGZSJUDLUXGCEQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.73
Rot. Bonds1

About 5-(5-methylpyrazol-1-yl)isoquinoline

5-(5-methylpyrazol-1-yl)isoquinoline (PubChem CID 139907357) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(5-methylpyrazol-1-yl)isoquinoline.

Molecular Properties

Compound Name5-(5-methylpyrazol-1-yl)isoquinoline
PubChem CID139907357
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name5-(5-methylpyrazol-1-yl)isoquinoline
SMILESCc1ccnn1-c1cccc2cnccc12
InChIInChI=1S/C13H11N3/c1-10-5-8-15-16(10)13-4-2-3-11-9-14-7-6-12(11)13/h2-9H,1H3
InChIKeyNGZSJUDLUXGCEQ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrazol-1-yl)isoquinoline?
The IUPAC name of 5-(5-methylpyrazol-1-yl)isoquinoline (CID 139907357) is 5-(5-methylpyrazol-1-yl)isoquinoline.
What is the SMILES notation for 5-(5-methylpyrazol-1-yl)isoquinoline?
The canonical SMILES for 5-(5-methylpyrazol-1-yl)isoquinoline is Cc1ccnn1-c1cccc2cnccc12.
What is the InChIKey of 5-(5-methylpyrazol-1-yl)isoquinoline?
The InChIKey is NGZSJUDLUXGCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-5-8-15-16(10)13-4-2-3-11-9-14-7-6-12(11)13/h2-9H,1H3.
What are the key properties of 5-(5-methylpyrazol-1-yl)isoquinoline?
5-(5-methylpyrazol-1-yl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 139907357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).