ethane;1-(4-methylpyrazol-1-yl)isoquinoline

C17H23N3 — CID 144804353

IUPACethane;1-(4-methylpyrazol-1-yl)isoquinoline
SMILESCC.CC.Cc1cnn(-c2nccc3ccccc23)c1
InChIInChI=1S/C13H11N3.2C2H6/c1-10-8-15-16(9-10)13-12-5-3-2-4-11(12)6-7-14-13;2*1-2/h2-9H,1H3;2*1-2H3
InChIKeyZOTVGQHFUTUISE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.78
Rot. Bonds1

About ethane;1-(4-methylpyrazol-1-yl)isoquinoline

ethane;1-(4-methylpyrazol-1-yl)isoquinoline (PubChem CID 144804353) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethane;1-(4-methylpyrazol-1-yl)isoquinoline.

Molecular Properties

Compound Nameethane;1-(4-methylpyrazol-1-yl)isoquinoline
PubChem CID144804353
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Nameethane;1-(4-methylpyrazol-1-yl)isoquinoline
SMILESCC.CC.Cc1cnn(-c2nccc3ccccc23)c1
InChIInChI=1S/C13H11N3.2C2H6/c1-10-8-15-16(9-10)13-12-5-3-2-4-11(12)6-7-14-13;2*1-2/h2-9H,1H3;2*1-2H3
InChIKeyZOTVGQHFUTUISE-UHFFFAOYSA-N
XLogP4.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-(4-methylpyrazol-1-yl)isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpyrazol-1-yl)isoquinoline?
The IUPAC name of ethane;1-(4-methylpyrazol-1-yl)isoquinoline (CID 144804353) is ethane;1-(4-methylpyrazol-1-yl)isoquinoline.
What is the SMILES notation for ethane;1-(4-methylpyrazol-1-yl)isoquinoline?
The canonical SMILES for ethane;1-(4-methylpyrazol-1-yl)isoquinoline is CC.CC.Cc1cnn(-c2nccc3ccccc23)c1.
What is the InChIKey of ethane;1-(4-methylpyrazol-1-yl)isoquinoline?
The InChIKey is ZOTVGQHFUTUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.2C2H6/c1-10-8-15-16(9-10)13-12-5-3-2-4-11(12)6-7-14-13;2*1-2/h2-9H,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylpyrazol-1-yl)isoquinoline?
ethane;1-(4-methylpyrazol-1-yl)isoquinoline has a molecular weight of 269.39 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 144804353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).