isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone

C14H11N3O — CID 105099533

IUPACisoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cncc2ccccc12
InChIInChI=1S/C14H11N3O/c1-17-13(6-7-16-17)14(18)12-9-15-8-10-4-2-3-5-11(10)12/h2-9H,1H3
InChIKeyFIVDTJLXTTVAGN-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.20
Rot. Bonds2

About isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone

isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone (PubChem CID 105099533) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone
PubChem CID105099533
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Nameisoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cncc2ccccc12
InChIInChI=1S/C14H11N3O/c1-17-13(6-7-16-17)14(18)12-9-15-8-10-4-2-3-5-11(10)12/h2-9H,1H3
InChIKeyFIVDTJLXTTVAGN-UHFFFAOYSA-N
XLogP2.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone 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 isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone (CID 105099533) is isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone?
The InChIKey is FIVDTJLXTTVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-13(6-7-16-17)14(18)12-9-15-8-10-4-2-3-5-11(10)12/h2-9H,1H3.
What are the key properties of isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone?
isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 105099533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).